2-naphthalen-2-yl-2-phenylacetonitrile

C18H13N — CID 44719900

IUPAC2-naphthalen-2-yl-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H13N/c19-13-18(15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18H
InChIKeyPESLSAWMLFHIPT-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.50
Rot. Bonds2

About 2-naphthalen-2-yl-2-phenylacetonitrile

2-naphthalen-2-yl-2-phenylacetonitrile (PubChem CID 44719900) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-phenylacetonitrile.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-phenylacetonitrile
PubChem CID44719900
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name2-naphthalen-2-yl-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H13N/c19-13-18(15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18H
InChIKeyPESLSAWMLFHIPT-UHFFFAOYSA-N
XLogP4.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217
2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
2,3-dihydroxy-3-naphthalen-2-ylpropanenitrile
CID 171870416
2-(4-tert-butylphenyl)-2-phenylacetonitrile
CID 11414012
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylacetonitrile
CID 59596117
(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
CID 94037815
(2S,3R)-2-hydroxy-3-naphthalen-2-ylbutanenitrile
CID 100997633
2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile
CID 118017440
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile
CID 14023164

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-phenylacetonitrile?
The IUPAC name of 2-naphthalen-2-yl-2-phenylacetonitrile (CID 44719900) is 2-naphthalen-2-yl-2-phenylacetonitrile.
What is the SMILES notation for 2-naphthalen-2-yl-2-phenylacetonitrile?
The canonical SMILES for 2-naphthalen-2-yl-2-phenylacetonitrile is N#CC(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-phenylacetonitrile?
The InChIKey is PESLSAWMLFHIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c19-13-18(15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18H.
What are the key properties of 2-naphthalen-2-yl-2-phenylacetonitrile?
2-naphthalen-2-yl-2-phenylacetonitrile has a molecular weight of 243.31 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-phenylacetonitrile is sourced from PubChem (CID 44719900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).