6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene

C430H348B6N22 — CID 159204028

IUPAC6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccccc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccccc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccccc4-c4ccccc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccccc5-c5ccccc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccncc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccncc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(C#N)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(C#N)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc3c42)cc1.Cc1ccc2c(c1)B1c3c(cc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)cc3-n3c4ccc(C(C)(C)C)cc4c4cc(C)cc1c43)N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C86H66BN3.C74H58BN3.C72H56BN5.C70H66BN3.C64H48BN5.C64H54BN3/c1-85(2,3)63-38-41-65(42-39-63)88-78-45-37-61(69-33-21-19-31-67(69)57-27-15-9-16-28-57)48-75(78)87-76-49-62(70-34-22-20-32-68(70)58-29-17-10-18-30-58)47-74-73-52-64(86(4,5)6)40-46-77(73)90(84(74)76)82-54-66(53-81(88)83(82)87)89-79-50-59(55-23-11-7-12-24-55)35-43-71(79)72-44-36-60(51-80(72)89)56-25-13-8-14-26-56;1-73(2,3)55-30-33-57(34-31-55)76-66-37-29-51(47-19-11-7-12-20-47)40-63(66)75-64-41-54(50-25-17-10-18-26-50)39-62-61-44-56(74(4,5)6)32-38-65(61)78(72(62)64)70-46-58(45-69(76)71(70)75)77-67-42-52(48-21-13-8-14-22-48)27-35-59(67)60-36-28-53(43-68(60)77)49-23-15-9-16-24-49;1-71(2,3)53-20-23-55(24-21-53)76-64-27-19-49(47-29-33-74-34-30-47)38-61(64)73-62-39-52(48-31-35-75-36-32-48)37-60-59-42-54(72(4,5)6)22-28-63(59)78(70(60)62)68-44-56(43-67(76)69(68)73)77-65-40-50(45-13-9-7-10-14-45)17-25-57(65)58-26-18-51(41-66(58)77)46-15-11-8-12-16-46;1-67(2,3)47-25-29-51(30-26-47)72-60-34-28-49(69(7,8)9)39-57(60)71-58-40-50(70(10,11)12)38-56-55-37-48(68(4,5)6)27-33-59(55)74(66(56)58)64-42-52(41-63(72)65(64)71)73-61-35-45(43-19-15-13-16-20-43)23-31-53(61)54-32-24-46(36-62(54)73)44-21-17-14-18-22-44;1-63(2,3)45-20-23-47(24-21-45)68-56-27-17-39(37-66)30-53(56)65-54-31-40(38-67)29-52-51-34-46(64(4,5)6)22-28-55(51)70(62(52)54)60-36-48(35-59(68)61(60)65)69-57-32-43(41-13-9-7-10-14-41)18-25-49(57)50-26-19-44(33-58(50)69)42-15-11-8-12-16-42;1-39-19-29-56-53(32-39)65-54-33-40(2)31-52-51-36-46(64(6,7)8)24-30-55(51)68(62(52)54)60-38-48(37-59(61(60)65)66(56)47-25-22-45(23-26-47)63(3,4)5)67-57-34-43(41-15-11-9-12-16-41)20-27-49(57)50-28-21-44(35-58(50)67)42-17-13-10-14-18-42/h7-54H,1-6H3;7-46H,1-6H3;7-44H,1-6H3;13-42H,1-12H3;7-36H,1-6H3;9-38H,1-8H3
InChIKeyKPQLLUFSFVJZTH-UHFFFAOYSA-N
MW5888.54 g/mol
LogP101.62
Rot. Bonds32

About 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene

6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene (PubChem CID 159204028) has the molecular formula C430H348B6N22 and a molecular weight of 5888.54 g/mol. Its IUPAC name is 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene.

Molecular Properties

Compound Name6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene
PubChem CID159204028
Molecular FormulaC430H348B6N22
Molecular Weight5888.54 g/mol
Exact Mass5884.85
IUPAC Name6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccccc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccccc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccccc4-c4ccccc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccccc5-c5ccccc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccncc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccncc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(C#N)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(C#N)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc3c42)cc1.Cc1ccc2c(c1)B1c3c(cc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)cc3-n3c4ccc(C(C)(C)C)cc4c4cc(C)cc1c43)N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C86H66BN3.C74H58BN3.C72H56BN5.C70H66BN3.C64H48BN5.C64H54BN3/c1-85(2,3)63-38-41-65(42-39-63)88-78-45-37-61(69-33-21-19-31-67(69)57-27-15-9-16-28-57)48-75(78)87-76-49-62(70-34-22-20-32-68(70)58-29-17-10-18-30-58)47-74-73-52-64(86(4,5)6)40-46-77(73)90(84(74)76)82-54-66(53-81(88)83(82)87)89-79-50-59(55-23-11-7-12-24-55)35-43-71(79)72-44-36-60(51-80(72)89)56-25-13-8-14-26-56;1-73(2,3)55-30-33-57(34-31-55)76-66-37-29-51(47-19-11-7-12-20-47)40-63(66)75-64-41-54(50-25-17-10-18-26-50)39-62-61-44-56(74(4,5)6)32-38-65(61)78(72(62)64)70-46-58(45-69(76)71(70)75)77-67-42-52(48-21-13-8-14-22-48)27-35-59(67)60-36-28-53(43-68(60)77)49-23-15-9-16-24-49;1-71(2,3)53-20-23-55(24-21-53)76-64-27-19-49(47-29-33-74-34-30-47)38-61(64)73-62-39-52(48-31-35-75-36-32-48)37-60-59-42-54(72(4,5)6)22-28-63(59)78(70(60)62)68-44-56(43-67(76)69(68)73)77-65-40-50(45-13-9-7-10-14-45)17-25-57(65)58-26-18-51(41-66(58)77)46-15-11-8-12-16-46;1-67(2,3)47-25-29-51(30-26-47)72-60-34-28-49(69(7,8)9)39-57(60)71-58-40-50(70(10,11)12)38-56-55-37-48(68(4,5)6)27-33-59(55)74(66(56)58)64-42-52(41-63(72)65(64)71)73-61-35-45(43-19-15-13-16-20-43)23-31-53(61)54-32-24-46(36-62(54)73)44-21-17-14-18-22-44;1-63(2,3)45-20-23-47(24-21-45)68-56-27-17-39(37-66)30-53(56)65-54-31-40(38-67)29-52-51-34-46(64(4,5)6)22-28-55(51)70(62(52)54)60-36-48(35-59(68)61(60)65)69-57-32-43(41-13-9-7-10-14-41)18-25-49(57)50-26-19-44(33-58(50)69)42-15-11-8-12-16-42;1-39-19-29-56-53(32-39)65-54-33-40(2)31-52-51-36-46(64(6,7)8)24-30-55(51)68(62(52)54)60-38-48(37-59(61(60)65)66(56)47-25-22-45(23-26-47)63(3,4)5)67-57-34-43(41-15-11-9-12-16-41)20-27-49(57)50-28-21-44(35-58(50)67)42-17-13-10-14-18-42/h7-54H,1-6H3;7-46H,1-6H3;7-44H,1-6H3;13-42H,1-12H3;7-36H,1-6H3;9-38H,1-8H3
InChIKeyKPQLLUFSFVJZTH-UHFFFAOYSA-N
XLogP101.62
TPSA151.96 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms458
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005888.54
LogP ≤ 5101.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene with MolForge

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Related Compounds

6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-ditert-butylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene
CID 155618087
4-[6-[4,18-ditert-butyl-8,14-bis(4-phenylphenyl)-8,14-diaza-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-yl]-2-phenylcarbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 155763427
9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(3-phenylphenyl)phenyl]-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene;9,23-ditert-butyl-16-(2,7-ditert-butylcarbazol-9-yl)-4,28-bis[2-(4-phenylphenyl)phenyl]-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
CID 157179691
8,14-bis(4-tert-butylphenyl)-11-(2,7-diphenylcarbazol-9-yl)-4,18-dimethyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 155618104
24-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-21-phenyl-11,17-bis[2-(4-phenylphenyl)phenyl]-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9(27),10,12,15(20),16,18,22,24-dodecaene
CID 155618016
6-tert-butyl-21-(4-tert-butylphenyl)-N-methyl-11,17-bis[2-(4-phenylphenyl)phenyl]-N-[5-phenyl-2-(4-phenylphenyl)phenyl]-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaen-24-amine
CID 174088604
4-[3-[4,18-diphenyl-8,14-bis(4-phenylphenyl)-8,14-diaza-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-yl]-6-phenylcarbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[6-[4,18-diphenyl-8,14-bis(4-phenylphenyl)-8,14-diaza-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-yl]-2-phenylcarbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 158347448
4-[3-tert-butyl-6-[5,17-ditert-butyl-8,14-bis(4-phenylphenyl)-8,14-diaza-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-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 155763458
11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 155618131
6-tert-butyl-9-[6-[14-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-18-phenyl-8-(2-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-2-pyridinyl]carbazole-3-carbonitrile
CID 174169592
8,14-diphenyl-11-pyridin-4-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;21-phenyl-24-pyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3,5,7,9,11,13(27),15,17,19,22,24-dodecaene;16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene;4,9,23,28-tetratert-butyl-16-pyridin-4-yl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
CID 164985558
9-[8-[4-tert-butyl-2-(8-tert-butyldibenzothiophen-2-yl)-6-carbazol-9-ylphenyl]-14-(2-carbazol-9-yl-6-dibenzothiophen-2-ylphenyl)-4,18-diphenyl-8,14-diaza-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-yl]carbazole-3-carbonitrile
CID 170532931

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene?
The IUPAC name of 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene (CID 159204028) is 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene.
What is the SMILES notation for 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene?
The canonical SMILES for 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene is CC(C)(C)c1ccc(N2c3ccc(-c4ccccc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccccc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccccc4-c4ccccc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccccc5-c5ccccc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(-c4ccncc4)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(-c5ccncc5)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(C#N)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(C#N)cc3c42)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4c2cc(-n2c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc52)cc4-n2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc3c42)cc1.Cc1ccc2c(c1)B1c3c(cc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)cc3-n3c4ccc(C(C)(C)C)cc4c4cc(C)cc1c43)N2c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene?
The InChIKey is KPQLLUFSFVJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H66BN3.C74H58BN3.C72H56BN5.C70H66BN3.C64H48BN5.C64H54BN3/c1-85(2,3)63-38-41-65(42-39-63)88-78-45-37-61(69-33-21-19-31-67(69)57-27-15-9-16-28-57)48-75(78)87-76-49-62(70-34-22-20-32-68(70)58-29-17-10-18-30-58)47-74-73-52-64(86(4,5)6)40-46-77(73)90(84(74)76)82-54-66(53-81(88)83(82)87)89-79-50-59(55-23-11-7-12-24-55)35-43-71(79)72-44-36-60(51-80(72)89)56-25-13-8-14-26-56;1-73(2,3)55-30-33-57(34-31-55)76-66-37-29-51(47-19-11-7-12-20-47)40-63(66)75-64-41-54(50-25-17-10-18-26-50)39-62-61-44-56(74(4,5)6)32-38-65(61)78(72(62)64)70-46-58(45-69(76)71(70)75)77-67-42-52(48-21-13-8-14-22-48)27-35-59(67)60-36-28-53(43-68(60)77)49-23-15-9-16-24-49;1-71(2,3)53-20-23-55(24-21-53)76-64-27-19-49(47-29-33-74-34-30-47)38-61(64)73-62-39-52(48-31-35-75-36-32-48)37-60-59-42-54(72(4,5)6)22-28-63(59)78(70(60)62)68-44-56(43-67(76)69(68)73)77-65-40-50(45-13-9-7-10-14-45)17-25-57(65)58-26-18-51(41-66(58)77)46-15-11-8-12-16-46;1-67(2,3)47-25-29-51(30-26-47)72-60-34-28-49(69(7,8)9)39-57(60)71-58-40-50(70(10,11)12)38-56-55-37-48(68(4,5)6)27-33-59(55)74(66(56)58)64-42-52(41-63(72)65(64)71)73-61-35-45(43-19-15-13-16-20-43)23-31-53(61)54-32-24-46(36-62(54)73)44-21-17-14-18-22-44;1-63(2,3)45-20-23-47(24-21-45)68-56-27-17-39(37-66)30-53(56)65-54-31-40(38-67)29-52-51-34-46(64(4,5)6)22-28-55(51)70(62(52)54)60-36-48(35-59(68)61(60)65)69-57-32-43(41-13-9-7-10-14-41)18-25-49(57)50-26-19-44(33-58(50)69)42-15-11-8-12-16-42;1-39-19-29-56-53(32-39)65-54-33-40(2)31-52-51-36-46(64(6,7)8)24-30-55(51)68(62(52)54)60-38-48(37-59(61(60)65)66(56)47-25-22-45(23-26-47)63(3,4)5)67-57-34-43(41-15-11-9-12-16-41)20-27-49(57)50-28-21-44(35-58(50)67)42-17-13-10-14-18-42/h7-54H,1-6H3;7-46H,1-6H3;7-44H,1-6H3;13-42H,1-12H3;7-36H,1-6H3;9-38H,1-8H3.
What are the key properties of 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene?
6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene has a molecular weight of 5888.54 g/mol, XLogP of 101.62, 32 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-bis(2-phenylphenyl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene-11,17-dicarbonitrile;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dimethyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6-tert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-11,17-dipyridin-4-yl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene;6,11,17-tritert-butyl-21-(4-tert-butylphenyl)-24-(2,7-diphenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene is sourced from PubChem (CID 159204028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).