2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile

C20H11BrN2O — CID 177308948

IUPAC2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile
SMILESN#Cc1c(C(=O)c2ccc(Br)cc2)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H11BrN2O/c21-13-7-5-12(6-8-13)20(24)16-10-9-15-14-3-1-2-4-18(14)23-19(15)17(16)11-22/h1-10,23H
InChIKeyGKZVRLXSPAHLFD-UHFFFAOYSA-N
MW375.23 g/mol
LogP5.19
Rot. Bonds2

About 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile

2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile (PubChem CID 177308948) has the molecular formula C20H11BrN2O and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile
PubChem CID177308948
Molecular FormulaC20H11BrN2O
Molecular Weight375.23 g/mol
Exact Mass374.01
IUPAC Name2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile
SMILESN#Cc1c(C(=O)c2ccc(Br)cc2)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H11BrN2O/c21-13-7-5-12(6-8-13)20(24)16-10-9-15-14-3-1-2-4-18(14)23-19(15)17(16)11-22/h1-10,23H
InChIKeyGKZVRLXSPAHLFD-UHFFFAOYSA-N
XLogP5.19
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.23
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(1-hydroxy-9H-carbazol-2-yl)methanone
CID 139187068
(E)-1-(4-bromophenyl)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-2-en-1-one
CID 90681568
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027
[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone
CID 3948314
(2-amino-9H-carbazol-1-yl)-phenylmethanone
CID 154352677
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate
CID 132575987
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
CID 10422724
1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one
CID 68792419
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile?
The IUPAC name of 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile (CID 177308948) is 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile.
What is the SMILES notation for 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile?
The canonical SMILES for 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile is N#Cc1c(C(=O)c2ccc(Br)cc2)ccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile?
The InChIKey is GKZVRLXSPAHLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrN2O/c21-13-7-5-12(6-8-13)20(24)16-10-9-15-14-3-1-2-4-18(14)23-19(15)17(16)11-22/h1-10,23H.
What are the key properties of 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile?
2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile has a molecular weight of 375.23 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-9H-carbazole-1-carbonitrile is sourced from PubChem (CID 177308948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).