3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole

C138H95B2BrCl2N6O4 — CID 161329286

IUPAC3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole
SMILESClc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2cccc3c2c2ccccc2n3-c2ccccc2)c1.Clc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1.OB(O)c1ccccc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C48H32N2.C42H27ClN2.C24H15BrClN.C18H14BNO2.C6H7BO2/c1-4-15-33(16-5-1)35-29-36(34-27-28-46-43(32-34)41-21-10-12-24-44(41)49(46)38-17-6-2-7-18-38)31-37(30-35)40-23-14-26-47-48(40)42-22-11-13-25-45(42)50(47)39-19-8-3-9-20-39;43-31-25-29(28-22-23-40-37(27-28)35-16-7-9-19-38(35)44(40)32-12-3-1-4-13-32)24-30(26-31)34-18-11-21-41-42(34)36-17-8-10-20-39(36)45(41)33-14-5-2-6-15-33;25-18-12-17(13-19(26)15-18)16-10-11-24-22(14-16)21-8-4-5-9-23(21)27(24)20-6-2-1-3-7-20;21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13;8-7(9)6-4-2-1-3-5-6/h1-32H;1-27H;1-15H;1-12,21-22H;1-5,8-9H
InChIKeyVLEVMAVPGFYAOG-UHFFFAOYSA-N
MW2073.75 g/mol
LogP34.45
Rot. Bonds14

About 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole

3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole (PubChem CID 161329286) has the molecular formula C138H95B2BrCl2N6O4 and a molecular weight of 2073.75 g/mol. Its IUPAC name is 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole
PubChem CID161329286
Molecular FormulaC138H95B2BrCl2N6O4
Molecular Weight2073.75 g/mol
Exact Mass2070.62
IUPAC Name3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole
SMILESClc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2cccc3c2c2ccccc2n3-c2ccccc2)c1.Clc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1.OB(O)c1ccccc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C48H32N2.C42H27ClN2.C24H15BrClN.C18H14BNO2.C6H7BO2/c1-4-15-33(16-5-1)35-29-36(34-27-28-46-43(32-34)41-21-10-12-24-44(41)49(46)38-17-6-2-7-18-38)31-37(30-35)40-23-14-26-47-48(40)42-22-11-13-25-45(42)50(47)39-19-8-3-9-20-39;43-31-25-29(28-22-23-40-37(27-28)35-16-7-9-19-38(35)44(40)32-12-3-1-4-13-32)24-30(26-31)34-18-11-21-41-42(34)36-17-8-10-20-39(36)45(41)33-14-5-2-6-15-33;25-18-12-17(13-19(26)15-18)16-10-11-24-22(14-16)21-8-4-5-9-23(21)27(24)20-6-2-1-3-7-20;21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13;8-7(9)6-4-2-1-3-5-6/h1-32H;1-27H;1-15H;1-12,21-22H;1-5,8-9H
InChIKeyVLEVMAVPGFYAOG-UHFFFAOYSA-N
XLogP34.45
TPSA110.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002073.75
LogP ≤ 534.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole with MolForge

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Related Compounds

4-[3-(4-chlorophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 176878196
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole?
The IUPAC name of 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole (CID 161329286) is 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole.
What is the SMILES notation for 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole?
The canonical SMILES for 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole is Clc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2cccc3c2c2ccccc2n3-c2ccccc2)c1.Clc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1.OB(O)c1ccccc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole?
The InChIKey is VLEVMAVPGFYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2.C42H27ClN2.C24H15BrClN.C18H14BNO2.C6H7BO2/c1-4-15-33(16-5-1)35-29-36(34-27-28-46-43(32-34)41-21-10-12-24-44(41)49(46)38-17-6-2-7-18-38)31-37(30-35)40-23-14-26-47-48(40)42-22-11-13-25-45(42)50(47)39-19-8-3-9-20-39;43-31-25-29(28-22-23-40-37(27-28)35-16-7-9-19-38(35)44(40)32-12-3-1-4-13-32)24-30(26-31)34-18-11-21-41-42(34)36-17-8-10-20-39(36)45(41)33-14-5-2-6-15-33;25-18-12-17(13-19(26)15-18)16-10-11-24-22(14-16)21-8-4-5-9-23(21)27(24)20-6-2-1-3-7-20;21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13;8-7(9)6-4-2-1-3-5-6/h1-32H;1-27H;1-15H;1-12,21-22H;1-5,8-9H.
What are the key properties of 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole?
3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole has a molecular weight of 2073.75 g/mol, XLogP of 34.45, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole is sourced from PubChem (CID 161329286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).