2,4-diphenylpentanedinitrile

C17H14N2 — CID 11218829

IUPAC2,4-diphenylpentanedinitrile
SMILESN#CC(CC(C#N)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N2/c18-12-16(14-7-3-1-4-8-14)11-17(13-19)15-9-5-2-6-10-15/h1-10,16-17H,11H2
InChIKeyBWTDTZJEXARMAO-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.99
Rot. Bonds4

About 2,4-diphenylpentanedinitrile

2,4-diphenylpentanedinitrile (PubChem CID 11218829) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,4-diphenylpentanedinitrile.

Molecular Properties

Compound Name2,4-diphenylpentanedinitrile
PubChem CID11218829
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2,4-diphenylpentanedinitrile
SMILESN#CC(CC(C#N)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N2/c18-12-16(14-7-3-1-4-8-14)11-17(13-19)15-9-5-2-6-10-15/h1-10,16-17H,11H2
InChIKeyBWTDTZJEXARMAO-UHFFFAOYSA-N
XLogP3.99
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylpentanedinitrile?
The IUPAC name of 2,4-diphenylpentanedinitrile (CID 11218829) is 2,4-diphenylpentanedinitrile.
What is the SMILES notation for 2,4-diphenylpentanedinitrile?
The canonical SMILES for 2,4-diphenylpentanedinitrile is N#CC(CC(C#N)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-diphenylpentanedinitrile?
The InChIKey is BWTDTZJEXARMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c18-12-16(14-7-3-1-4-8-14)11-17(13-19)15-9-5-2-6-10-15/h1-10,16-17H,11H2.
What are the key properties of 2,4-diphenylpentanedinitrile?
2,4-diphenylpentanedinitrile has a molecular weight of 246.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylpentanedinitrile is sourced from PubChem (CID 11218829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).