2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

C21H17N3 — CID 4249561

IUPAC2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(-c3ccccc3)cc2)C(C#N)=C(C)N1
InChIInChI=1S/C21H17N3/c1-14-19(12-22)21(20(13-23)15(2)24-14)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,21,24H,1-2H3
InChIKeyBNTUIIUNPVQAQR-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.64
Rot. Bonds2

About 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 4249561) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID4249561
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc(-c3ccccc3)cc2)C(C#N)=C(C)N1
InChIInChI=1S/C21H17N3/c1-14-19(12-22)21(20(13-23)15(2)24-14)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,21,24H,1-2H3
InChIKeyBNTUIIUNPVQAQR-UHFFFAOYSA-N
XLogP4.64
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 4249561) is 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc(-c3ccccc3)cc2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is BNTUIIUNPVQAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-14-19(12-22)21(20(13-23)15(2)24-14)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,21,24H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 311.39 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-phenylphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 4249561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).