9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene

C390H242N18O4 — CID 159328517

IUPAC9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3cc(-n4c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc64)ccc3n5c21.[C-]#[N+]c1ccc(-c2cc3c4ccccc4n4c5c(-c6ccccc6)c6c7cc(-c8ccc(C#N)cc8)cc8c9ccccc9n(c6c(-c6ccccc6)c5c(c2)c34)c87)cc1.c1ccc(-c2c3c4cc(-c5ccc6oc7ccccc7c6c5)cc5c6ccccc6n(c3c(-c3ccccc3)c3c6cc(-c7ccc8oc9ccccc9c8c7)cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cc(-c5cccc6c5oc5ccccc56)cc5c6ccccc6n(c3c(-c3ccccc3)c3c6cc(-c7cccc8c7oc7ccccc78)cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8n(c23)c76)c54)cc1.c1ccc(-c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(-c5ccccc5)ccc4n6c32)cc1
InChIInChI=1S/C82H70N4.C66H38N4.2C66H36N2O2.C56H30N4.C54H32N2/c1-79(2,3)49-29-35-65-59(41-49)60-42-50(80(4,5)6)30-36-66(60)83(65)53-33-39-69-63(45-53)55-25-19-27-57-73-72(48-23-17-14-18-24-48)78-74(71(47-21-15-13-16-22-47)77(73)85(69)75(55)57)58-28-20-26-56-64-46-54(34-40-70(64)86(78)76(56)58)84-67-37-31-51(81(7,8)9)43-61(67)62-44-52(82(10,11)12)32-38-68(62)84;1-3-17-39(18-4-1)59-61-49-27-15-25-47-52-38-42(68-55-31-13-9-23-45(55)46-24-10-14-32-56(46)68)34-36-58(52)70(63(47)49)66(61)60(40-19-5-2-6-20-40)62-50-28-16-26-48-51-37-41(33-35-57(51)69(64(48)50)65(59)62)67-53-29-11-7-21-43(53)44-22-8-12-30-54(44)67;1-3-17-37(18-4-1)57-59-51-35-39(41-25-15-27-47-45-23-9-13-31-55(45)69-65(41)47)33-49-44-22-8-12-30-54(44)68(61(49)51)64(59)58(38-19-5-2-6-20-38)60-52-36-40(34-50-43-21-7-11-29-53(43)67(62(50)52)63(57)60)42-26-16-28-48-46-24-10-14-32-56(46)70-66(42)48;1-3-15-37(16-4-1)59-61-51-35-41(39-27-29-57-47(31-39)45-21-9-13-25-55(45)69-57)33-49-44-20-8-12-24-54(44)68(63(49)51)66(61)60(38-17-5-2-6-18-38)62-52-36-42(34-50-43-19-7-11-23-53(43)67(64(50)52)65(59)62)40-28-30-58-48(32-40)46-22-10-14-26-56(46)70-58;1-58-40-26-24-35(25-27-40)39-29-44-42-17-9-11-19-48(42)60-54(44)46(31-39)52-50(37-14-6-3-7-15-37)55-51(49(56(52)60)36-12-4-2-5-13-36)45-30-38(34-22-20-33(32-57)21-23-34)28-43-41-16-8-10-18-47(41)59(55)53(43)45;1-5-15-33(16-6-1)37-27-29-45-43(31-37)39-23-13-25-41-49-48(36-21-11-4-12-22-36)54-50(47(35-19-9-3-10-20-35)53(49)55(45)51(39)41)42-26-14-24-40-44-32-38(34-17-7-2-8-18-34)28-30-46(44)56(54)52(40)42/h13-46H,1-12H3;1-38H;2*1-36H;2-31H;1-32H
InChIKeyLERHZBDKABJYLW-UHFFFAOYSA-N
MW5244.35 g/mol
LogP106.86
Rot. Bonds24

About 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene

9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene (PubChem CID 159328517) has the molecular formula C390H242N18O4 and a molecular weight of 5244.35 g/mol. Its IUPAC name is 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene.

Molecular Properties

Compound Name9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
PubChem CID159328517
Molecular FormulaC390H242N18O4
Molecular Weight5244.35 g/mol
Exact Mass5239.93
IUPAC Name9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3cc(-n4c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc64)ccc3n5c21.[C-]#[N+]c1ccc(-c2cc3c4ccccc4n4c5c(-c6ccccc6)c6c7cc(-c8ccc(C#N)cc8)cc8c9ccccc9n(c6c(-c6ccccc6)c5c(c2)c34)c87)cc1.c1ccc(-c2c3c4cc(-c5ccc6oc7ccccc7c6c5)cc5c6ccccc6n(c3c(-c3ccccc3)c3c6cc(-c7ccc8oc9ccccc9c8c7)cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cc(-c5cccc6c5oc5ccccc56)cc5c6ccccc6n(c3c(-c3ccccc3)c3c6cc(-c7cccc8c7oc7ccccc78)cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8n(c23)c76)c54)cc1.c1ccc(-c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(-c5ccccc5)ccc4n6c32)cc1
InChIInChI=1S/C82H70N4.C66H38N4.2C66H36N2O2.C56H30N4.C54H32N2/c1-79(2,3)49-29-35-65-59(41-49)60-42-50(80(4,5)6)30-36-66(60)83(65)53-33-39-69-63(45-53)55-25-19-27-57-73-72(48-23-17-14-18-24-48)78-74(71(47-21-15-13-16-22-47)77(73)85(69)75(55)57)58-28-20-26-56-64-46-54(34-40-70(64)86(78)76(56)58)84-67-37-31-51(81(7,8)9)43-61(67)62-44-52(82(10,11)12)32-38-68(62)84;1-3-17-39(18-4-1)59-61-49-27-15-25-47-52-38-42(68-55-31-13-9-23-45(55)46-24-10-14-32-56(46)68)34-36-58(52)70(63(47)49)66(61)60(40-19-5-2-6-20-40)62-50-28-16-26-48-51-37-41(33-35-57(51)69(64(48)50)65(59)62)67-53-29-11-7-21-43(53)44-22-8-12-30-54(44)67;1-3-17-37(18-4-1)57-59-51-35-39(41-25-15-27-47-45-23-9-13-31-55(45)69-65(41)47)33-49-44-22-8-12-30-54(44)68(61(49)51)64(59)58(38-19-5-2-6-20-38)60-52-36-40(34-50-43-21-7-11-29-53(43)67(62(50)52)63(57)60)42-26-16-28-48-46-24-10-14-32-56(46)70-66(42)48;1-3-15-37(16-4-1)59-61-51-35-41(39-27-29-57-47(31-39)45-21-9-13-25-55(45)69-57)33-49-44-20-8-12-24-54(44)68(63(49)51)66(61)60(38-17-5-2-6-18-38)62-52-36-42(34-50-43-19-7-11-23-53(43)67(64(50)52)65(59)62)40-28-30-58-48(32-40)46-22-10-14-26-56(46)70-58;1-58-40-26-24-35(25-27-40)39-29-44-42-17-9-11-19-48(42)60-54(44)46(31-39)52-50(37-14-6-3-7-15-37)55-51(49(56(52)60)36-12-4-2-5-13-36)45-30-38(34-22-20-33(32-57)21-23-34)28-43-41-16-8-10-18-47(41)59(55)53(43)45;1-5-15-33(16-6-1)37-27-29-45-43(31-37)39-23-13-25-41-49-48(36-21-11-4-12-22-36)54-50(47(35-19-9-3-10-20-35)53(49)55(45)51(39)41)42-26-14-24-40-44-32-38(34-17-7-2-8-18-34)28-30-46(44)56(54)52(40)42/h13-46H,1-12H3;1-38H;2*1-36H;2-31H;1-32H
InChIKeyLERHZBDKABJYLW-UHFFFAOYSA-N
XLogP106.86
TPSA153.35 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms412
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005244.35
LogP ≤ 5106.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?
The IUPAC name of 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene (CID 159328517) is 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene.
What is the SMILES notation for 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?
The canonical SMILES for 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3cc(-n4c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc64)ccc3n5c21.[C-]#[N+]c1ccc(-c2cc3c4ccccc4n4c5c(-c6ccccc6)c6c7cc(-c8ccc(C#N)cc8)cc8c9ccccc9n(c6c(-c6ccccc6)c5c(c2)c34)c87)cc1.c1ccc(-c2c3c4cc(-c5ccc6oc7ccccc7c6c5)cc5c6ccccc6n(c3c(-c3ccccc3)c3c6cc(-c7ccc8oc9ccccc9c8c7)cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cc(-c5cccc6c5oc5ccccc56)cc5c6ccccc6n(c3c(-c3ccccc3)c3c6cc(-c7cccc8c7oc7ccccc78)cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8n(c23)c76)c54)cc1.c1ccc(-c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(-c5ccccc5)ccc4n6c32)cc1.
What is the InChIKey of 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?
The InChIKey is LERHZBDKABJYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H70N4.C66H38N4.2C66H36N2O2.C56H30N4.C54H32N2/c1-79(2,3)49-29-35-65-59(41-49)60-42-50(80(4,5)6)30-36-66(60)83(65)53-33-39-69-63(45-53)55-25-19-27-57-73-72(48-23-17-14-18-24-48)78-74(71(47-21-15-13-16-22-47)77(73)85(69)75(55)57)58-28-20-26-56-64-46-54(34-40-70(64)86(78)76(56)58)84-67-37-31-51(81(7,8)9)43-61(67)62-44-52(82(10,11)12)32-38-68(62)84;1-3-17-39(18-4-1)59-61-49-27-15-25-47-52-38-42(68-55-31-13-9-23-45(55)46-24-10-14-32-56(46)68)34-36-58(52)70(63(47)49)66(61)60(40-19-5-2-6-20-40)62-50-28-16-26-48-51-37-41(33-35-57(51)69(64(48)50)65(59)62)67-53-29-11-7-21-43(53)44-22-8-12-30-54(44)67;1-3-17-37(18-4-1)57-59-51-35-39(41-25-15-27-47-45-23-9-13-31-55(45)69-65(41)47)33-49-44-22-8-12-30-54(44)68(61(49)51)64(59)58(38-19-5-2-6-20-38)60-52-36-40(34-50-43-21-7-11-29-53(43)67(62(50)52)63(57)60)42-26-16-28-48-46-24-10-14-32-56(46)70-66(42)48;1-3-15-37(16-4-1)59-61-51-35-41(39-27-29-57-47(31-39)45-21-9-13-25-55(45)69-57)33-49-44-20-8-12-24-54(44)68(63(49)51)66(61)60(38-17-5-2-6-18-38)62-52-36-42(34-50-43-19-7-11-23-53(43)67(64(50)52)65(59)62)40-28-30-58-48(32-40)46-22-10-14-26-56(46)70-58;1-58-40-26-24-35(25-27-40)39-29-44-42-17-9-11-19-48(42)60-54(44)46(31-39)52-50(37-14-6-3-7-15-37)55-51(49(56(52)60)36-12-4-2-5-13-36)45-30-38(34-22-20-33(32-57)21-23-34)28-43-41-16-8-10-18-47(41)59(55)53(43)45;1-5-15-33(16-6-1)37-27-29-45-43(31-37)39-23-13-25-41-49-48(36-21-11-4-12-22-36)54-50(47(35-19-9-3-10-20-35)53(49)55(45)51(39)41)42-26-14-24-40-44-32-38(34-17-7-2-8-18-34)28-30-46(44)56(54)52(40)42/h13-46H,1-12H3;1-38H;2*1-36H;2-31H;1-32H.
What are the key properties of 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?
9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene has a molecular weight of 5244.35 g/mol, XLogP of 106.86, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9,24-bis(3,6-ditert-butylcarbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;9,24-di(carbazol-9-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;14,29-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;14,29-di(dibenzofuran-4-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;4-[29-(4-isocyanophenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaen-14-yl]benzonitrile;3,9,18,24-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene is sourced from PubChem (CID 159328517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).