2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile

C17H12N2 — CID 156779666

IUPAC2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H12N2/c18-11-17(12-19)10-16(17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10H2
InChIKeyXQQVWZQEHNALQO-UHFFFAOYSA-N
MW244.30 g/mol
LogP3.87
Rot. Bonds2

About 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile

2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile (PubChem CID 156779666) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile
PubChem CID156779666
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H12N2/c18-11-17(12-19)10-16(17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10H2
InChIKeyXQQVWZQEHNALQO-UHFFFAOYSA-N
XLogP3.87
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile?
The IUPAC name of 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile (CID 156779666) is 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile.
What is the SMILES notation for 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile?
The canonical SMILES for 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile is N#CC1(C#N)CC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile?
The InChIKey is XQQVWZQEHNALQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c18-11-17(12-19)10-16(17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10H2.
What are the key properties of 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile?
2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile has a molecular weight of 244.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile is sourced from PubChem (CID 156779666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).