3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine

C42H30BrN3 — CID 161460507

IUPAC3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C24H18N2.C18H12BrN/c1-3-9-18(10-4-1)25-19-15-16-24-22(17-19)21-13-7-8-14-23(21)26(24)20-11-5-2-6-12-20;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-17,25H;1-12H
InChIKeyWBSWDURMGWMOKH-UHFFFAOYSA-N
MW656.63 g/mol
LogP12.07
Rot. Bonds4

About 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine

3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine (PubChem CID 161460507) has the molecular formula C42H30BrN3 and a molecular weight of 656.63 g/mol. Its IUPAC name is 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine
PubChem CID161460507
Molecular FormulaC42H30BrN3
Molecular Weight656.63 g/mol
Exact Mass655.16
IUPAC Name3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C24H18N2.C18H12BrN/c1-3-9-18(10-4-1)25-19-15-16-24-22(17-19)21-13-7-8-14-23(21)26(24)20-11-5-2-6-12-20;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-17,25H;1-12H
InChIKeyWBSWDURMGWMOKH-UHFFFAOYSA-N
XLogP12.07
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.63
LogP ≤ 512.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
6-methyl-N,9-diphenylcarbazol-3-amine
CID 58807692
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
ethane;N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 144861482
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
2-(4-bromophenyl)-9-phenylcarbazole;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160525115
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
9-[4-(4-bromophenyl)phenyl]-10-phenylanthracene;N-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159237953
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine?
The IUPAC name of 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine (CID 161460507) is 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine?
The canonical SMILES for 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine is Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine?
The InChIKey is WBSWDURMGWMOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2.C18H12BrN/c1-3-9-18(10-4-1)25-19-15-16-24-22(17-19)21-13-7-8-14-23(21)26(24)20-11-5-2-6-12-20;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-17,25H;1-12H.
What are the key properties of 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine?
3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine has a molecular weight of 656.63 g/mol, XLogP of 12.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 161460507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).