4-methyl-2-phenylbenzene-1,3-dicarbonitrile

C15H10N2 — CID 90016382

IUPAC4-methyl-2-phenylbenzene-1,3-dicarbonitrile
SMILESCc1ccc(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H10N2/c1-11-7-8-13(9-16)15(14(11)10-17)12-5-3-2-4-6-12/h2-8H,1H3
InChIKeyHLERXWKRCDPURZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.41
Rot. Bonds1

About 4-methyl-2-phenylbenzene-1,3-dicarbonitrile

4-methyl-2-phenylbenzene-1,3-dicarbonitrile (PubChem CID 90016382) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-methyl-2-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-methyl-2-phenylbenzene-1,3-dicarbonitrile
PubChem CID90016382
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name4-methyl-2-phenylbenzene-1,3-dicarbonitrile
SMILESCc1ccc(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H10N2/c1-11-7-8-13(9-16)15(14(11)10-17)12-5-3-2-4-6-12/h2-8H,1H3
InChIKeyHLERXWKRCDPURZ-UHFFFAOYSA-N
XLogP3.41
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-methyl-2-phenylbenzene-1,3-dicarbonitrile (CID 90016382) is 4-methyl-2-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-methyl-2-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-methyl-2-phenylbenzene-1,3-dicarbonitrile is Cc1ccc(C#N)c(-c2ccccc2)c1C#N.
What is the InChIKey of 4-methyl-2-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is HLERXWKRCDPURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c1-11-7-8-13(9-16)15(14(11)10-17)12-5-3-2-4-6-12/h2-8H,1H3.
What are the key properties of 4-methyl-2-phenylbenzene-1,3-dicarbonitrile?
4-methyl-2-phenylbenzene-1,3-dicarbonitrile has a molecular weight of 218.26 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 90016382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).