5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene

C494H380N16 — CID 158312803

IUPAC5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene
SMILESCc1cc(C)c(-c2c3cc4c5cc(C)cc6c7cc(C)ccc7n(c4cc3c(-c3c(C)cc(C)cc3C)c3cc4c7cc(C)cc8c9cc(C)ccc9n(c4cc23)c87)c65)c(C)c1.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6c(C(C)C)cccc6C(C)C)c6cc7c(cc6c(-c6c(C(C)C)cccc6C(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6c(C)cccc6C)c6cc7c(cc6c(-c6c(C)cccc6C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6cccc(-c7ccccc7)c6)c6cc7c(cc6c(-c6cccc(-c8ccccc8)c6)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6-c6ccccc6)c6cc7c(cc6c(-c6ccccc6-c6ccccc6)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C(C)(C)C)c6cc7c(cc6c(-c6ccccc6C(C)(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C(C)C)c6cc7c(cc6c(-c6ccccc6C(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C)c6cc7c(cc6c(-c6ccccc6C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21
InChIInChI=1S/2C66H44N2.C66H60N2.C62H52N2.2C60H48N2.C58H44N2.C56H40N2/c1-37-23-25-59-47(27-37)55-29-39(3)31-57-49-33-51-53(35-61(49)67(59)65(55)57)63(45-21-13-11-19-43(45)41-15-7-5-8-16-41)52-34-50-58-32-40(4)30-56-48-28-38(2)24-26-60(48)68(66(56)58)62(50)36-54(52)64(51)46-22-14-12-20-44(46)42-17-9-6-10-18-42;1-37-21-23-59-47(25-37)55-27-39(3)29-57-49-33-51-53(35-61(49)67(59)65(55)57)63(45-19-11-17-43(31-45)41-13-7-5-8-14-41)52-34-50-58-30-40(4)28-56-48-26-38(2)22-24-60(48)68(66(56)58)62(50)36-54(52)64(51)46-20-12-18-44(32-46)42-15-9-6-10-16-42;1-33(2)41-15-13-16-42(34(3)4)61(41)63-49-29-47-55-27-39(11)25-53-46-24-38(10)20-22-58(46)68(65(53)55)60(47)32-52(49)64(62-43(35(5)6)17-14-18-44(62)36(7)8)50-30-48-56-28-40(12)26-54-45-23-37(9)19-21-57(45)67(66(54)56)59(48)31-51(50)63;1-33-19-21-53-39(23-33)47-25-35(3)27-49-41-29-43-45(31-55(41)63(53)59(47)49)57(37-15-11-13-17-51(37)61(5,6)7)44-30-42-50-28-36(4)26-48-40-24-34(2)20-22-54(40)64(60(48)50)56(42)32-46(44)58(43)38-16-12-14-18-52(38)62(8,9)10;1-29-11-13-51-39(19-29)47-21-33(5)23-49-41-25-43-45(27-53(41)61(51)59(47)49)57(55-35(7)15-31(3)16-36(55)8)44-26-42-50-24-34(6)22-48-40-20-30(2)12-14-52(40)62(60(48)50)54(42)28-46(44)58(43)56-37(9)17-32(4)18-38(56)10;1-31(2)37-13-9-11-15-39(37)57-45-27-43-51-25-35(7)23-49-42-22-34(6)18-20-54(42)62(59(49)51)56(43)30-48(45)58(40-16-12-10-14-38(40)32(3)4)46-28-44-52-26-36(8)24-50-41-21-33(5)17-19-53(41)61(60(50)52)55(44)29-47(46)57;1-29-15-17-49-37(19-29)45-21-31(3)23-47-39-25-41-43(27-51(39)59(49)57(45)47)55(53-33(5)11-9-12-34(53)6)42-26-40-48-24-32(4)22-46-38-20-30(2)16-18-50(38)60(58(46)48)52(40)28-44(42)56(41)54-35(7)13-10-14-36(54)8;1-29-15-17-49-37(19-29)45-21-31(3)23-47-39-25-41-43(27-51(39)57(49)55(45)47)53(35-13-9-7-11-33(35)5)42-26-40-48-24-32(4)22-46-38-20-30(2)16-18-50(38)58(56(46)48)52(40)28-44(42)54(41)36-14-10-8-12-34(36)6/h2*5-36H,1-4H3;13-36H,1-12H3;11-32H,1-10H3;11-28H,1-10H3;9-32H,1-8H3;9-28H,1-8H3;7-28H,1-6H3
InChIKeyGNWPKQRRXIDRRV-UHFFFAOYSA-N
MW6540.59 g/mol
LogP138.59
Rot. Bonds26

About 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene

5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene (PubChem CID 158312803) has the molecular formula C494H380N16 and a molecular weight of 6540.59 g/mol. Its IUPAC name is 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene.

Molecular Properties

Compound Name5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene
PubChem CID158312803
Molecular FormulaC494H380N16
Molecular Weight6540.59 g/mol
Exact Mass6535.02
IUPAC Name5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene
SMILESCc1cc(C)c(-c2c3cc4c5cc(C)cc6c7cc(C)ccc7n(c4cc3c(-c3c(C)cc(C)cc3C)c3cc4c7cc(C)cc8c9cc(C)ccc9n(c4cc23)c87)c65)c(C)c1.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6c(C(C)C)cccc6C(C)C)c6cc7c(cc6c(-c6c(C(C)C)cccc6C(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6c(C)cccc6C)c6cc7c(cc6c(-c6c(C)cccc6C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6cccc(-c7ccccc7)c6)c6cc7c(cc6c(-c6cccc(-c8ccccc8)c6)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6-c6ccccc6)c6cc7c(cc6c(-c6ccccc6-c6ccccc6)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C(C)(C)C)c6cc7c(cc6c(-c6ccccc6C(C)(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C(C)C)c6cc7c(cc6c(-c6ccccc6C(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C)c6cc7c(cc6c(-c6ccccc6C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21
InChIInChI=1S/2C66H44N2.C66H60N2.C62H52N2.2C60H48N2.C58H44N2.C56H40N2/c1-37-23-25-59-47(27-37)55-29-39(3)31-57-49-33-51-53(35-61(49)67(59)65(55)57)63(45-21-13-11-19-43(45)41-15-7-5-8-16-41)52-34-50-58-32-40(4)30-56-48-28-38(2)24-26-60(48)68(66(56)58)62(50)36-54(52)64(51)46-22-14-12-20-44(46)42-17-9-6-10-18-42;1-37-21-23-59-47(25-37)55-27-39(3)29-57-49-33-51-53(35-61(49)67(59)65(55)57)63(45-19-11-17-43(31-45)41-13-7-5-8-14-41)52-34-50-58-30-40(4)28-56-48-26-38(2)22-24-60(48)68(66(56)58)62(50)36-54(52)64(51)46-20-12-18-44(32-46)42-15-9-6-10-16-42;1-33(2)41-15-13-16-42(34(3)4)61(41)63-49-29-47-55-27-39(11)25-53-46-24-38(10)20-22-58(46)68(65(53)55)60(47)32-52(49)64(62-43(35(5)6)17-14-18-44(62)36(7)8)50-30-48-56-28-40(12)26-54-45-23-37(9)19-21-57(45)67(66(54)56)59(48)31-51(50)63;1-33-19-21-53-39(23-33)47-25-35(3)27-49-41-29-43-45(31-55(41)63(53)59(47)49)57(37-15-11-13-17-51(37)61(5,6)7)44-30-42-50-28-36(4)26-48-40-24-34(2)20-22-54(40)64(60(48)50)56(42)32-46(44)58(43)38-16-12-14-18-52(38)62(8,9)10;1-29-11-13-51-39(19-29)47-21-33(5)23-49-41-25-43-45(27-53(41)61(51)59(47)49)57(55-35(7)15-31(3)16-36(55)8)44-26-42-50-24-34(6)22-48-40-20-30(2)12-14-52(40)62(60(48)50)54(42)28-46(44)58(43)56-37(9)17-32(4)18-38(56)10;1-31(2)37-13-9-11-15-39(37)57-45-27-43-51-25-35(7)23-49-42-22-34(6)18-20-54(42)62(59(49)51)56(43)30-48(45)58(40-16-12-10-14-38(40)32(3)4)46-28-44-52-26-36(8)24-50-41-21-33(5)17-19-53(41)61(60(50)52)55(44)29-47(46)57;1-29-15-17-49-37(19-29)45-21-31(3)23-47-39-25-41-43(27-51(39)59(49)57(45)47)55(53-33(5)11-9-12-34(53)6)42-26-40-48-24-32(4)22-46-38-20-30(2)16-18-50(38)60(58(46)48)52(40)28-44(42)56(41)54-35(7)13-10-14-36(54)8;1-29-15-17-49-37(19-29)45-21-31(3)23-47-39-25-41-43(27-51(39)57(49)55(45)47)53(35-13-9-7-11-33(35)5)42-26-40-48-24-32(4)22-46-38-20-30(2)16-18-50(38)58(56(46)48)52(40)28-44(42)54(41)36-14-10-8-12-34(36)6/h2*5-36H,1-4H3;13-36H,1-12H3;11-32H,1-10H3;11-28H,1-10H3;9-32H,1-8H3;9-28H,1-8H3;7-28H,1-6H3
InChIKeyGNWPKQRRXIDRRV-UHFFFAOYSA-N
XLogP138.59
TPSA70.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms510
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006540.59
LogP ≤ 5138.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene with MolForge

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What is the IUPAC name of 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene?
The IUPAC name of 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene (CID 158312803) is 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene.
What is the SMILES notation for 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene?
The canonical SMILES for 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene is Cc1cc(C)c(-c2c3cc4c5cc(C)cc6c7cc(C)ccc7n(c4cc3c(-c3c(C)cc(C)cc3C)c3cc4c7cc(C)cc8c9cc(C)ccc9n(c4cc23)c87)c65)c(C)c1.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6c(C(C)C)cccc6C(C)C)c6cc7c(cc6c(-c6c(C(C)C)cccc6C(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6c(C)cccc6C)c6cc7c(cc6c(-c6c(C)cccc6C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6cccc(-c7ccccc7)c6)c6cc7c(cc6c(-c6cccc(-c8ccccc8)c6)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6-c6ccccc6)c6cc7c(cc6c(-c6ccccc6-c6ccccc6)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C(C)(C)C)c6cc7c(cc6c(-c6ccccc6C(C)(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C(C)C)c6cc7c(cc6c(-c6ccccc6C(C)C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.Cc1ccc2c(c1)c1cc(C)cc3c4cc5c(-c6ccccc6C)c6cc7c(cc6c(-c6ccccc6C)c5cc4n2c13)c1cc(C)cc2c3cc(C)ccc3n7c21.
What is the InChIKey of 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene?
The InChIKey is GNWPKQRRXIDRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H44N2.C66H60N2.C62H52N2.2C60H48N2.C58H44N2.C56H40N2/c1-37-23-25-59-47(27-37)55-29-39(3)31-57-49-33-51-53(35-61(49)67(59)65(55)57)63(45-21-13-11-19-43(45)41-15-7-5-8-16-41)52-34-50-58-32-40(4)30-56-48-28-38(2)24-26-60(48)68(66(56)58)62(50)36-54(52)64(51)46-22-14-12-20-44(46)42-17-9-6-10-18-42;1-37-21-23-59-47(25-37)55-27-39(3)29-57-49-33-51-53(35-61(49)67(59)65(55)57)63(45-19-11-17-43(31-45)41-13-7-5-8-14-41)52-34-50-58-30-40(4)28-56-48-26-38(2)22-24-60(48)68(66(56)58)62(50)36-54(52)64(51)46-20-12-18-44(32-46)42-15-9-6-10-16-42;1-33(2)41-15-13-16-42(34(3)4)61(41)63-49-29-47-55-27-39(11)25-53-46-24-38(10)20-22-58(46)68(65(53)55)60(47)32-52(49)64(62-43(35(5)6)17-14-18-44(62)36(7)8)50-30-48-56-28-40(12)26-54-45-23-37(9)19-21-57(45)67(66(54)56)59(48)31-51(50)63;1-33-19-21-53-39(23-33)47-25-35(3)27-49-41-29-43-45(31-55(41)63(53)59(47)49)57(37-15-11-13-17-51(37)61(5,6)7)44-30-42-50-28-36(4)26-48-40-24-34(2)20-22-54(40)64(60(48)50)56(42)32-46(44)58(43)38-16-12-14-18-52(38)62(8,9)10;1-29-11-13-51-39(19-29)47-21-33(5)23-49-41-25-43-45(27-53(41)61(51)59(47)49)57(55-35(7)15-31(3)16-36(55)8)44-26-42-50-24-34(6)22-48-40-20-30(2)12-14-52(40)62(60(48)50)54(42)28-46(44)58(43)56-37(9)17-32(4)18-38(56)10;1-31(2)37-13-9-11-15-39(37)57-45-27-43-51-25-35(7)23-49-42-22-34(6)18-20-54(42)62(59(49)51)56(43)30-48(45)58(40-16-12-10-14-38(40)32(3)4)46-28-44-52-26-36(8)24-50-41-21-33(5)17-19-53(41)61(60(50)52)55(44)29-47(46)57;1-29-15-17-49-37(19-29)45-21-31(3)23-47-39-25-41-43(27-51(39)59(49)57(45)47)55(53-33(5)11-9-12-34(53)6)42-26-40-48-24-32(4)22-46-38-20-30(2)16-18-50(38)60(58(46)48)52(40)28-44(42)56(41)54-35(7)13-10-14-36(54)8;1-29-15-17-49-37(19-29)45-21-31(3)23-47-39-25-41-43(27-51(39)57(49)55(45)47)53(35-13-9-7-11-33(35)5)42-26-40-48-24-32(4)22-46-38-20-30(2)16-18-50(38)58(56(46)48)52(40)28-44(42)54(41)36-14-10-8-12-34(36)6/h2*5-36H,1-4H3;13-36H,1-12H3;11-32H,1-10H3;11-28H,1-10H3;9-32H,1-8H3;9-28H,1-8H3;7-28H,1-6H3.
What are the key properties of 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene?
5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene has a molecular weight of 6540.59 g/mol, XLogP of 138.59, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene is sourced from PubChem (CID 158312803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).