2-[(4-phenylphenyl)methylidene]propanedinitrile

C16H10N2 — CID 615529

IUPAC2-[(4-phenylphenyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H10N2/c17-11-14(12-18)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-10H
InChIKeyMGZBXPYAOHDAGU-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.78
Rot. Bonds2

About 2-[(4-phenylphenyl)methylidene]propanedinitrile

2-[(4-phenylphenyl)methylidene]propanedinitrile (PubChem CID 615529) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methylidene]propanedinitrile
PubChem CID615529
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name2-[(4-phenylphenyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H10N2/c17-11-14(12-18)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-10H
InChIKeyMGZBXPYAOHDAGU-UHFFFAOYSA-N
XLogP3.78
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methylidene]propanedinitrile?
The IUPAC name of 2-[(4-phenylphenyl)methylidene]propanedinitrile (CID 615529) is 2-[(4-phenylphenyl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-phenylphenyl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(4-phenylphenyl)methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)methylidene]propanedinitrile?
The InChIKey is MGZBXPYAOHDAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c17-11-14(12-18)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-10H.
What are the key properties of 2-[(4-phenylphenyl)methylidene]propanedinitrile?
2-[(4-phenylphenyl)methylidene]propanedinitrile has a molecular weight of 230.27 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methylidene]propanedinitrile is sourced from PubChem (CID 615529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).