15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine

C461H335B8N17O16Si — CID 157270923

IUPAC15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1cc(C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1cc([Si](C)(C)C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)B2c4c(cc(C)cc4Oc4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)c5ccccc5c42)O3)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c4c(c2)Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4c2Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(-c2ccc3c4c2Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)B2c4c(ccc(-c5ccc6ccccc6c5)c4Oc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c42)O3)cc1
InChIInChI=1S/C64H46BN3O2.C62H41BN2O2.C60H39BN2O2.C58H49BN2O2.C56H37BN2O2.C55H43BN2O2.C54H43BN2O2Si.C52H37BN2O2/c1-43-31-35-49(36-32-43)66(50-37-33-44(2)34-38-50)51-39-58-64-59(40-51)70-61-42-57(68(47-23-11-5-12-24-47)48-25-13-6-14-26-48)53-28-16-18-30-55(53)63(61)65(64)62-54-29-17-15-27-52(54)56(41-60(62)69-58)67(45-19-7-3-8-20-45)46-21-9-4-10-22-46;1-7-23-42(24-8-1)52-39-53(43-25-9-2-10-26-43)62-60-61(52)66-56-40-54(64(44-27-11-3-12-28-44)45-29-13-4-14-30-45)48-35-19-21-37-50(48)58(56)63(60)59-51-38-22-20-36-49(51)55(41-57(59)67-62)65(46-31-15-5-16-32-46)47-33-17-6-18-34-47;1-5-21-43(22-6-1)62(44-23-7-2-8-24-44)52-38-55-57(50-31-17-15-29-48(50)52)61-58-51-32-18-16-30-49(51)53(63(45-25-9-3-10-26-45)46-27-11-4-12-28-46)39-56(58)65-60-47(35-36-54(64-55)59(60)61)42-34-33-40-19-13-14-20-41(40)37-42;1-57(2,3)46-35-47(58(4,5)6)56-54-55(46)62-50-36-48(60(38-23-11-7-12-24-38)39-25-13-8-14-26-39)42-31-19-21-33-44(42)52(50)59(54)53-45-34-22-20-32-43(45)49(37-51(53)63-56)61(40-27-15-9-16-28-40)41-29-17-10-18-30-41;1-6-20-38(21-7-1)43-34-35-50-55-56(43)61-52-37-49(59(41-26-12-4-13-27-41)42-28-14-5-15-29-42)45-31-17-19-33-47(45)54(52)57(55)53-46-32-18-16-30-44(46)48(36-51(53)60-50)58(39-22-8-2-9-23-39)40-24-10-3-11-25-40;1-34-14-22-39(23-15-34)57(40-24-16-35(2)17-25-40)47-32-51-53(45-12-8-6-10-43(45)47)56-54-46-13-9-7-11-44(46)48(33-52(54)60-50-31-38(5)30-49(59-51)55(50)56)58(41-26-18-36(3)19-27-41)42-28-20-37(4)21-29-42;1-36-33-49(60(2,3)4)54-52-53(36)58-47-34-45(56(37-21-9-5-10-22-37)38-23-11-6-12-24-38)41-29-17-19-31-43(41)50(47)55(52)51-44-32-20-18-30-42(44)46(35-48(51)59-54)57(39-25-13-7-14-26-39)40-27-15-8-16-28-40;1-34-31-35(2)52-50-51(34)56-46-32-44(54(36-19-7-3-8-20-36)37-21-9-4-10-22-37)40-27-15-17-29-42(40)48(46)53(50)49-43-30-18-16-28-41(43)45(33-47(49)57-52)55(38-23-11-5-12-24-38)39-25-13-6-14-26-39/h3-42H,1-2H3;1-41H;1-39H;7-37H,1-6H3;1-37H;6-33H,1-5H3;5-35H,1-4H3;3-33H,1-2H3
InChIKeyAYNJQPJALPLCBE-UHFFFAOYSA-N
MW6483.44 g/mol
LogP110.80
Rot. Bonds56

About 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine

15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine (PubChem CID 157270923) has the molecular formula C461H335B8N17O16Si and a molecular weight of 6483.44 g/mol. Its IUPAC name is 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine.

Molecular Properties

Compound Name15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine
PubChem CID157270923
Molecular FormulaC461H335B8N17O16Si
Molecular Weight6483.44 g/mol
Exact Mass6479.64
IUPAC Name15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1cc(C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1cc([Si](C)(C)C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)B2c4c(cc(C)cc4Oc4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)c5ccccc5c42)O3)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c4c(c2)Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4c2Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(-c2ccc3c4c2Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)B2c4c(ccc(-c5ccc6ccccc6c5)c4Oc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c42)O3)cc1
InChIInChI=1S/C64H46BN3O2.C62H41BN2O2.C60H39BN2O2.C58H49BN2O2.C56H37BN2O2.C55H43BN2O2.C54H43BN2O2Si.C52H37BN2O2/c1-43-31-35-49(36-32-43)66(50-37-33-44(2)34-38-50)51-39-58-64-59(40-51)70-61-42-57(68(47-23-11-5-12-24-47)48-25-13-6-14-26-48)53-28-16-18-30-55(53)63(61)65(64)62-54-29-17-15-27-52(54)56(41-60(62)69-58)67(45-19-7-3-8-20-45)46-21-9-4-10-22-46;1-7-23-42(24-8-1)52-39-53(43-25-9-2-10-26-43)62-60-61(52)66-56-40-54(64(44-27-11-3-12-28-44)45-29-13-4-14-30-45)48-35-19-21-37-50(48)58(56)63(60)59-51-38-22-20-36-49(51)55(41-57(59)67-62)65(46-31-15-5-16-32-46)47-33-17-6-18-34-47;1-5-21-43(22-6-1)62(44-23-7-2-8-24-44)52-38-55-57(50-31-17-15-29-48(50)52)61-58-51-32-18-16-30-49(51)53(63(45-25-9-3-10-26-45)46-27-11-4-12-28-46)39-56(58)65-60-47(35-36-54(64-55)59(60)61)42-34-33-40-19-13-14-20-41(40)37-42;1-57(2,3)46-35-47(58(4,5)6)56-54-55(46)62-50-36-48(60(38-23-11-7-12-24-38)39-25-13-8-14-26-39)42-31-19-21-33-44(42)52(50)59(54)53-45-34-22-20-32-43(45)49(37-51(53)63-56)61(40-27-15-9-16-28-40)41-29-17-10-18-30-41;1-6-20-38(21-7-1)43-34-35-50-55-56(43)61-52-37-49(59(41-26-12-4-13-27-41)42-28-14-5-15-29-42)45-31-17-19-33-47(45)54(52)57(55)53-46-32-18-16-30-44(46)48(36-51(53)60-50)58(39-22-8-2-9-23-39)40-24-10-3-11-25-40;1-34-14-22-39(23-15-34)57(40-24-16-35(2)17-25-40)47-32-51-53(45-12-8-6-10-43(45)47)56-54-46-13-9-7-11-44(46)48(33-52(54)60-50-31-38(5)30-49(59-51)55(50)56)58(41-26-18-36(3)19-27-41)42-28-20-37(4)21-29-42;1-36-33-49(60(2,3)4)54-52-53(36)58-47-34-45(56(37-21-9-5-10-22-37)38-23-11-6-12-24-38)41-29-17-19-31-43(41)50(47)55(52)51-44-32-20-18-30-42(44)46(35-48(51)59-54)57(39-25-13-7-14-26-39)40-27-15-8-16-28-40;1-34-31-35(2)52-50-51(34)56-46-32-44(54(36-19-7-3-8-20-36)37-21-9-4-10-22-37)40-27-15-17-29-42(40)48(46)53(50)49-43-30-18-16-28-41(43)45(33-47(49)57-52)55(38-23-11-5-12-24-38)39-25-13-6-14-26-39/h3-42H,1-2H3;1-41H;1-39H;7-37H,1-6H3;1-37H;6-33H,1-5H3;5-35H,1-4H3;3-33H,1-2H3
InChIKeyAYNJQPJALPLCBE-UHFFFAOYSA-N
XLogP110.80
TPSA202.76 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds56
Heavy Atoms503
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006483.44
LogP ≤ 5110.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine with MolForge

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Related Compounds

9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine
CID 148770721
9-N-naphthalen-2-yl-9-N,21-N-diphenyl-21-N-(2-phenylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine
CID 153312338
15-tert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-propan-2-yl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N-tetraphenyl-15-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine
CID 157106112
21-naphthalen-2-yl-N,N-diphenyl-12,18-dioxa-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine
CID 153312258
15-tert-butyl-N,N-diphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13,15,17(29),19,21,23,25,27-tridecaen-9-amine
CID 146800947
21-N-naphthalen-1-yl-9-N,9-N,21-N-triphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine
CID 153312279
N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
CID 163809488
N,N-bis(4-methylphenyl)-12,18-dioxa-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine
CID 144879635
15-phenanthren-9-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine
CID 149099519
9-N,21-N-di(phenanthren-9-yl)-9-N,21-N-diphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine
CID 148671912
15-tert-butyl-N,N,18-triphenyl-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-9-amine;15-tert-butyl-N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine;15-methyl-9-N,9-N,21-N,21-N,18-pentakis-phenyl-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene-9,21-diamine;15-methyl-N,N,18-triphenyl-12-oxa-18-aza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaen-9-amine
CID 160799098
23-methyl-N,N-diphenyl-20,26-dioxa-1-boranonacyclo[19.15.1.02,19.04,17.05,10.011,16.025,37.027,36.030,35]heptatriaconta-2,4(17),5,7,9,11,13,15,18,21(37),22,24,27(36),28,30,32,34-heptadecaen-29-amine
CID 147807522

Frequently Asked Questions

What is the IUPAC name of 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine?
The IUPAC name of 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine (CID 157270923) is 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine.
What is the SMILES notation for 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine?
The canonical SMILES for 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine is CC(C)(C)c1cc(C(C)(C)C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1cc(C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1cc([Si](C)(C)C)c2c3c1Oc1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)B2c4c(cc(C)cc4Oc4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)c5ccccc5c42)O3)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c4c(c2)Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4c2Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(-c2ccc3c4c2Oc2cc(N(c5ccccc5)c5ccccc5)c5ccccc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)c4ccccc24)O3)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)B2c4c(ccc(-c5ccc6ccccc6c5)c4Oc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c42)O3)cc1.
What is the InChIKey of 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine?
The InChIKey is AYNJQPJALPLCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46BN3O2.C62H41BN2O2.C60H39BN2O2.C58H49BN2O2.C56H37BN2O2.C55H43BN2O2.C54H43BN2O2Si.C52H37BN2O2/c1-43-31-35-49(36-32-43)66(50-37-33-44(2)34-38-50)51-39-58-64-59(40-51)70-61-42-57(68(47-23-11-5-12-24-47)48-25-13-6-14-26-48)53-28-16-18-30-55(53)63(61)65(64)62-54-29-17-15-27-52(54)56(41-60(62)69-58)67(45-19-7-3-8-20-45)46-21-9-4-10-22-46;1-7-23-42(24-8-1)52-39-53(43-25-9-2-10-26-43)62-60-61(52)66-56-40-54(64(44-27-11-3-12-28-44)45-29-13-4-14-30-45)48-35-19-21-37-50(48)58(56)63(60)59-51-38-22-20-36-49(51)55(41-57(59)67-62)65(46-31-15-5-16-32-46)47-33-17-6-18-34-47;1-5-21-43(22-6-1)62(44-23-7-2-8-24-44)52-38-55-57(50-31-17-15-29-48(50)52)61-58-51-32-18-16-30-49(51)53(63(45-25-9-3-10-26-45)46-27-11-4-12-28-46)39-56(58)65-60-47(35-36-54(64-55)59(60)61)42-34-33-40-19-13-14-20-41(40)37-42;1-57(2,3)46-35-47(58(4,5)6)56-54-55(46)62-50-36-48(60(38-23-11-7-12-24-38)39-25-13-8-14-26-39)42-31-19-21-33-44(42)52(50)59(54)53-45-34-22-20-32-43(45)49(37-51(53)63-56)61(40-27-15-9-16-28-40)41-29-17-10-18-30-41;1-6-20-38(21-7-1)43-34-35-50-55-56(43)61-52-37-49(59(41-26-12-4-13-27-41)42-28-14-5-15-29-42)45-31-17-19-33-47(45)54(52)57(55)53-46-32-18-16-30-44(46)48(36-51(53)60-50)58(39-22-8-2-9-23-39)40-24-10-3-11-25-40;1-34-14-22-39(23-15-34)57(40-24-16-35(2)17-25-40)47-32-51-53(45-12-8-6-10-43(45)47)56-54-46-13-9-7-11-44(46)48(33-52(54)60-50-31-38(5)30-49(59-51)55(50)56)58(41-26-18-36(3)19-27-41)42-28-20-37(4)21-29-42;1-36-33-49(60(2,3)4)54-52-53(36)58-47-34-45(56(37-21-9-5-10-22-37)38-23-11-6-12-24-38)41-29-17-19-31-43(41)50(47)55(52)51-44-32-20-18-30-42(44)46(35-48(51)59-54)57(39-25-13-7-14-26-39)40-27-15-8-16-28-40;1-34-31-35(2)52-50-51(34)56-46-32-44(54(36-19-7-3-8-20-36)37-21-9-4-10-22-37)40-27-15-17-29-42(40)48(46)53(50)49-43-30-18-16-28-41(43)45(33-47(49)57-52)55(38-23-11-5-12-24-38)39-25-13-6-14-26-39/h3-42H,1-2H3;1-41H;1-39H;7-37H,1-6H3;1-37H;6-33H,1-5H3;5-35H,1-4H3;3-33H,1-2H3.
What are the key properties of 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine?
15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine has a molecular weight of 6483.44 g/mol, XLogP of 110.80, 56 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 15-N,15-N-bis(4-methylphenyl)-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,15,21-triamine;14,16-ditert-butyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14,16-dimethyl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14,16-hexakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;15-methyl-9-N,9-N,21-N,21-N-tetrakis(4-methylphenyl)-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;14-methyl-9-N,9-N,21-N,21-N-tetraphenyl-16-trimethylsilyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene-9,21-diamine;14-naphthalen-2-yl-9-N,9-N,21-N,21-N-tetraphenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine;9-N,9-N,21-N,21-N,14-pentakis-phenyl-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene-9,21-diamine is sourced from PubChem (CID 157270923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).