3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C120H92BClN8 — CID 161095296

IUPAC3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESClc1c(N(c2ccccc2)c2ccccc2)cc(C2CCCCC2)cc1N(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(N2c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc(C5CCCCC5)cc2c43)cc1
InChIInChI=1S/C60H45BN4.C60H47ClN4/c1-3-17-40(18-4-1)41-37-58-60-59(38-41)64(44-33-31-43(32-34-44)62-52-26-12-7-21-46(52)47-22-8-13-27-53(47)62)57-36-35-45(65-54-28-14-9-23-48(54)49-24-10-15-29-55(49)65)39-51(57)61(60)50-25-11-16-30-56(50)63(58)42-19-5-2-6-20-42;61-60-58(62(44-20-6-2-7-21-44)45-22-8-3-9-23-45)40-43(42-18-4-1-5-19-42)41-59(60)63(46-32-36-48(37-33-46)64-54-28-14-10-24-50(54)51-25-11-15-29-55(51)64)47-34-38-49(39-35-47)65-56-30-16-12-26-52(56)53-27-13-17-31-57(53)65/h2,5-16,19-40H,1,3-4,17-18H2;2-3,6-17,20-42H,1,4-5,18-19H2
InChIKeyUHSGMEQOVDWERG-UHFFFAOYSA-N
MW1692.38 g/mol
LogP31.53
Rot. Bonds14

About 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 161095296) has the molecular formula C120H92BClN8 and a molecular weight of 1692.38 g/mol. Its IUPAC name is 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
PubChem CID161095296
Molecular FormulaC120H92BClN8
Molecular Weight1692.38 g/mol
Exact Mass1690.72
IUPAC Name3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESClc1c(N(c2ccccc2)c2ccccc2)cc(C2CCCCC2)cc1N(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(N2c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc(C5CCCCC5)cc2c43)cc1
InChIInChI=1S/C60H45BN4.C60H47ClN4/c1-3-17-40(18-4-1)41-37-58-60-59(38-41)64(44-33-31-43(32-34-44)62-52-26-12-7-21-46(52)47-22-8-13-27-53(47)62)57-36-35-45(65-54-28-14-9-23-48(54)49-24-10-15-29-55(49)65)39-51(57)61(60)50-25-11-16-30-56(50)63(58)42-19-5-2-6-20-42;61-60-58(62(44-20-6-2-7-21-44)45-22-8-3-9-23-45)40-43(42-18-4-1-5-19-42)41-59(60)63(46-32-36-48(37-33-46)64-54-28-14-10-24-50(54)51-25-11-15-29-55(51)64)47-34-38-49(39-35-47)65-56-30-16-12-26-52(56)53-27-13-17-31-57(53)65/h2,5-16,19-40H,1,3-4,17-18H2;2-3,6-17,20-42H,1,4-5,18-19H2
InChIKeyUHSGMEQOVDWERG-UHFFFAOYSA-N
XLogP31.53
TPSA32.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001692.38
LogP ≤ 531.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-cyclohexyl-4-dibenzofuran-4-yl-8-(4-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-cyclohexyl-8-(4-dibenzofuran-4-ylphenyl)-4,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 157273021
4,11-dicyclohexyl-8,14-bis(4-cyclohexylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153497175
11-cyclohexyl-8-[4-(9,9-dimethylacridin-10-yl)phenyl]-14-phenyl-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
CID 149496865
8-(3-cycloheptylphenyl)-11-cyclohexyl-14-phenyl-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
CID 153497205
11-cyclohexyl-N,N,8-triphenyl-18-(2-phenylpropan-2-yl)-14-[4-(2-phenylpropan-2-yl)phenyl]-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-5-amine
CID 168845232
11-cyclohexyl-14-(4-methylphenyl)-8-phenyl-4-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 153497525
1-N,3-N-bis(4-tert-butylphenyl)-2-chloro-1-N,3-N-bis(4-cyclohexylphenyl)benzene-1,3-diamine;8,14-bis(4-tert-butylphenyl)-4,18-dicyclohexyl-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-nonaene;methane
CID 158472768
N,8,14-triphenyl-N-(9-phenylcarbazol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 140856051
11-cyclohexyl-5,8,17-triphenyl-14-(4-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-nonaene
CID 153497237
11-cyclohexyl-5,14-diphenyl-8-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153497305
11-cyclohexyl-4,18-diethyl-8,14-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-nonaene
CID 153497253
N,N,11,27-tetraphenyl-1,11,27-triaza-20-boranonacyclo[17.13.1.120,28.02,14.04,12.05,10.015,33.021,26.032,34]tetratriaconta-2(14),3,5,7,9,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-30-amine
CID 177260327

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 161095296) is 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is Clc1c(N(c2ccccc2)c2ccccc2)cc(C2CCCCC2)cc1N(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(N2c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc(C5CCCCC5)cc2c43)cc1.
What is the InChIKey of 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The InChIKey is UHSGMEQOVDWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45BN4.C60H47ClN4/c1-3-17-40(18-4-1)41-37-58-60-59(38-41)64(44-33-31-43(32-34-44)62-52-26-12-7-21-46(52)47-22-8-13-27-53(47)62)57-36-35-45(65-54-28-14-9-23-48(54)49-24-10-15-29-55(49)65)39-51(57)61(60)50-25-11-16-30-56(50)63(58)42-19-5-2-6-20-42;61-60-58(62(44-20-6-2-7-21-44)45-22-8-3-9-23-45)40-43(42-18-4-1-5-19-42)41-59(60)63(46-32-36-48(37-33-46)64-54-28-14-10-24-50(54)51-25-11-15-29-55(51)64)47-34-38-49(39-35-47)65-56-30-16-12-26-52(56)53-27-13-17-31-57(53)65/h2,5-16,19-40H,1,3-4,17-18H2;2-3,6-17,20-42H,1,4-5,18-19H2.
What are the key properties of 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 1692.38 g/mol, XLogP of 31.53, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(4-carbazol-9-ylphenyl)-2-chloro-5-cyclohexyl-1-N,1-N-diphenylbenzene-1,3-diamine;4-carbazol-9-yl-8-(4-carbazol-9-ylphenyl)-11-cyclohexyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 161095296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).