2-(2,3-diphenylphenyl)acetonitrile

C20H15N — CID 151704246

IUPAC2-(2,3-diphenylphenyl)acetonitrile
SMILESN#CCc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H15N/c21-15-14-18-12-7-13-19(16-8-3-1-4-9-16)20(18)17-10-5-2-6-11-17/h1-13H,14H2
InChIKeyRFFZQJZWYWEVHE-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.09
Rot. Bonds3

About 2-(2,3-diphenylphenyl)acetonitrile

2-(2,3-diphenylphenyl)acetonitrile (PubChem CID 151704246) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2,3-diphenylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-diphenylphenyl)acetonitrile
PubChem CID151704246
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name2-(2,3-diphenylphenyl)acetonitrile
SMILESN#CCc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H15N/c21-15-14-18-12-7-13-19(16-8-3-1-4-9-16)20(18)17-10-5-2-6-11-17/h1-13H,14H2
InChIKeyRFFZQJZWYWEVHE-UHFFFAOYSA-N
XLogP5.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylphenyl)acetonitrile?
The IUPAC name of 2-(2,3-diphenylphenyl)acetonitrile (CID 151704246) is 2-(2,3-diphenylphenyl)acetonitrile.
What is the SMILES notation for 2-(2,3-diphenylphenyl)acetonitrile?
The canonical SMILES for 2-(2,3-diphenylphenyl)acetonitrile is N#CCc1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(2,3-diphenylphenyl)acetonitrile?
The InChIKey is RFFZQJZWYWEVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c21-15-14-18-12-7-13-19(16-8-3-1-4-9-16)20(18)17-10-5-2-6-11-17/h1-13H,14H2.
What are the key properties of 2-(2,3-diphenylphenyl)acetonitrile?
2-(2,3-diphenylphenyl)acetonitrile has a molecular weight of 269.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylphenyl)acetonitrile is sourced from PubChem (CID 151704246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).