2-(9H-carbazol-4-yl)benzonitrile

C19H12N2 — CID 171060535

IUPAC2-(9H-carbazol-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C19H12N2/c20-12-13-6-1-2-7-14(13)15-9-5-11-18-19(15)16-8-3-4-10-17(16)21-18/h1-11,21H
InChIKeyIITREYPXZAQBFT-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.86
Rot. Bonds1

About 2-(9H-carbazol-4-yl)benzonitrile

2-(9H-carbazol-4-yl)benzonitrile (PubChem CID 171060535) has the molecular formula C19H12N2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(9H-carbazol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(9H-carbazol-4-yl)benzonitrile
PubChem CID171060535
Molecular FormulaC19H12N2
Molecular Weight268.32 g/mol
Exact Mass268.10
IUPAC Name2-(9H-carbazol-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C19H12N2/c20-12-13-6-1-2-7-14(13)15-9-5-11-18-19(15)16-8-3-4-10-17(16)21-18/h1-11,21H
InChIKeyIITREYPXZAQBFT-UHFFFAOYSA-N
XLogP4.86
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
CID 155081196
4-phenyl-9H-carbazole
CID 22990274
9H-carbazole-1,5-dicarbonitrile
CID 134477332
ethane;4-phenyl-9H-carbazole
CID 168948755
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121477925
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
4-hydroxy-9H-carbazole-1-carbonitrile
CID 86108678
2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
CID 104720555
CID 66993330
CID 66993330
3,4-dimethyl-9H-carbazole-1-carbonitrile
CID 101496372
2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847250

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-4-yl)benzonitrile?
The IUPAC name of 2-(9H-carbazol-4-yl)benzonitrile (CID 171060535) is 2-(9H-carbazol-4-yl)benzonitrile.
What is the SMILES notation for 2-(9H-carbazol-4-yl)benzonitrile?
The canonical SMILES for 2-(9H-carbazol-4-yl)benzonitrile is N#Cc1ccccc1-c1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 2-(9H-carbazol-4-yl)benzonitrile?
The InChIKey is IITREYPXZAQBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2/c20-12-13-6-1-2-7-14(13)15-9-5-11-18-19(15)16-8-3-4-10-17(16)21-18/h1-11,21H.
What are the key properties of 2-(9H-carbazol-4-yl)benzonitrile?
2-(9H-carbazol-4-yl)benzonitrile has a molecular weight of 268.32 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-4-yl)benzonitrile is sourced from PubChem (CID 171060535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).