4-(2-phenylselanylphenyl)benzonitrile

C19H13NSe — CID 86233851

IUPAC4-(2-phenylselanylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2[Se]c2ccccc2)cc1
InChIInChI=1S/C19H13NSe/c20-14-15-10-12-16(13-11-15)18-8-4-5-9-19(18)21-17-6-2-1-3-7-17/h1-13H
InChIKeyIAXHUGYSILKWEX-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.88
Rot. Bonds3

About 4-(2-phenylselanylphenyl)benzonitrile

4-(2-phenylselanylphenyl)benzonitrile (PubChem CID 86233851) has the molecular formula C19H13NSe and a molecular weight of 334.28 g/mol. Its IUPAC name is 4-(2-phenylselanylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-phenylselanylphenyl)benzonitrile
PubChem CID86233851
Molecular FormulaC19H13NSe
Molecular Weight334.28 g/mol
Exact Mass335.02
IUPAC Name4-(2-phenylselanylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2[Se]c2ccccc2)cc1
InChIInChI=1S/C19H13NSe/c20-14-15-10-12-16(13-11-15)18-8-4-5-9-19(18)21-17-6-2-1-3-7-17/h1-13H
InChIKeyIAXHUGYSILKWEX-UHFFFAOYSA-N
XLogP2.88
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
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2-(4-cyanophenyl)benzoic acid
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4-(2-ethynylphenyl)benzonitrile
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(14N)benzonitrile
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4-(2-fluorophenyl)benzonitrile;4-(4-fluorophenyl)benzonitrile;4-phenylbenzonitrile
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4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
CID 176994414
4-(2-oxaldehydoylphenyl)benzonitrile
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azulene-6-carbonitrile
CID 91533837
4-(2-methylsulfonylphenyl)benzonitrile
CID 22323113
4-anthracen-1-ylbenzonitrile
CID 151714314
5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylselanylphenyl)benzonitrile?
The IUPAC name of 4-(2-phenylselanylphenyl)benzonitrile (CID 86233851) is 4-(2-phenylselanylphenyl)benzonitrile.
What is the SMILES notation for 4-(2-phenylselanylphenyl)benzonitrile?
The canonical SMILES for 4-(2-phenylselanylphenyl)benzonitrile is N#Cc1ccc(-c2ccccc2[Se]c2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylselanylphenyl)benzonitrile?
The InChIKey is IAXHUGYSILKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NSe/c20-14-15-10-12-16(13-11-15)18-8-4-5-9-19(18)21-17-6-2-1-3-7-17/h1-13H.
What are the key properties of 4-(2-phenylselanylphenyl)benzonitrile?
4-(2-phenylselanylphenyl)benzonitrile has a molecular weight of 334.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylselanylphenyl)benzonitrile is sourced from PubChem (CID 86233851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).