4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile

C25H15BrN2 — CID 130440793

IUPAC4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C25H15BrN2/c26-19-11-13-25-22(15-19)20-8-4-5-9-23(20)28(25)24-12-10-17(16-27)14-21(24)18-6-2-1-3-7-18/h1-15H
InChIKeyJMYBHCKVEQXCKM-UHFFFAOYSA-N
MW423.31 g/mol
LogP7.08
Rot. Bonds2

About 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile

4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile (PubChem CID 130440793) has the molecular formula C25H15BrN2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile.

Molecular Properties

Compound Name4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile
PubChem CID130440793
Molecular FormulaC25H15BrN2
Molecular Weight423.31 g/mol
Exact Mass422.04
IUPAC Name4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C25H15BrN2/c26-19-11-13-25-22(15-19)20-8-4-5-9-23(20)28(25)24-12-10-17(16-27)14-21(24)18-6-2-1-3-7-18/h1-15H
InChIKeyJMYBHCKVEQXCKM-UHFFFAOYSA-N
XLogP7.08
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.31
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile
CID 164743983
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164744087
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164743992
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
3-carbazol-9-yl-9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazole-2-carbonitrile
CID 154958579
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile?
The IUPAC name of 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile (CID 130440793) is 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile.
What is the SMILES notation for 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile?
The canonical SMILES for 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)c(-c2ccccc2)c1.
What is the InChIKey of 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile?
The InChIKey is JMYBHCKVEQXCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrN2/c26-19-11-13-25-22(15-19)20-8-4-5-9-23(20)28(25)24-12-10-17(16-27)14-21(24)18-6-2-1-3-7-18/h1-15H.
What are the key properties of 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile?
4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile has a molecular weight of 423.31 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile is sourced from PubChem (CID 130440793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).