2-(2-carbazol-9-ylethyl)benzonitrile

C21H16N2 — CID 15984166

IUPAC2-(2-carbazol-9-ylethyl)benzonitrile
SMILESN#Cc1ccccc1CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H16N2/c22-15-17-8-2-1-7-16(17)13-14-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-12H,13-14H2
InChIKeyJIQZECRRSOIRDF-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.91
Rot. Bonds3

About 2-(2-carbazol-9-ylethyl)benzonitrile

2-(2-carbazol-9-ylethyl)benzonitrile (PubChem CID 15984166) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-carbazol-9-ylethyl)benzonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-ylethyl)benzonitrile
PubChem CID15984166
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name2-(2-carbazol-9-ylethyl)benzonitrile
SMILESN#Cc1ccccc1CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H16N2/c22-15-17-8-2-1-7-16(17)13-14-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-12H,13-14H2
InChIKeyJIQZECRRSOIRDF-UHFFFAOYSA-N
XLogP4.91
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[3-[3-(2-cyanophenyl)propylsulfanyl]propyl]benzonitrile
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2-(iodomethyl)benzonitrile
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2-[3-(2-bromophenyl)propyl]benzonitrile
CID 102008696
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
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2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[3-(dimethylamino)propyl]benzonitrile
CID 10702796
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
2-(2-ethoxyethyl)benzonitrile
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2-(aziridin-1-ylmethyl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-ylethyl)benzonitrile?
The IUPAC name of 2-(2-carbazol-9-ylethyl)benzonitrile (CID 15984166) is 2-(2-carbazol-9-ylethyl)benzonitrile.
What is the SMILES notation for 2-(2-carbazol-9-ylethyl)benzonitrile?
The canonical SMILES for 2-(2-carbazol-9-ylethyl)benzonitrile is N#Cc1ccccc1CCn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(2-carbazol-9-ylethyl)benzonitrile?
The InChIKey is JIQZECRRSOIRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c22-15-17-8-2-1-7-16(17)13-14-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-12H,13-14H2.
What are the key properties of 2-(2-carbazol-9-ylethyl)benzonitrile?
2-(2-carbazol-9-ylethyl)benzonitrile has a molecular weight of 296.37 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-ylethyl)benzonitrile is sourced from PubChem (CID 15984166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).