4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile

C33H22N4 — CID 118352544

IUPAC4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile
SMILESCc1cc(-c2ncc(-c3ccc(C#N)cc3)cc2/C=C/c2ccccc2)cnc1-c1ccc(C#N)cc1
InChIInChI=1S/C33H22N4/c1-23-17-31(22-36-32(23)28-14-10-26(20-35)11-15-28)33-29(16-7-24-5-3-2-4-6-24)18-30(21-37-33)27-12-8-25(19-34)9-13-27/h2-18,21-22H,1H3/b16-7+
InChIKeyQSMGHAMEFSJFOS-FRKPEAEDSA-N
MW474.57 g/mol
LogP7.70
Rot. Bonds5

About 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile

4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile (PubChem CID 118352544) has the molecular formula C33H22N4 and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile
PubChem CID118352544
Molecular FormulaC33H22N4
Molecular Weight474.57 g/mol
Exact Mass474.18
IUPAC Name4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile
SMILESCc1cc(-c2ncc(-c3ccc(C#N)cc3)cc2/C=C/c2ccccc2)cnc1-c1ccc(C#N)cc1
InChIInChI=1S/C33H22N4/c1-23-17-31(22-36-32(23)28-14-10-26(20-35)11-15-28)33-29(16-7-24-5-3-2-4-6-24)18-30(21-37-33)27-12-8-25(19-34)9-13-27/h2-18,21-22H,1H3/b16-7+
InChIKeyQSMGHAMEFSJFOS-FRKPEAEDSA-N
XLogP7.70
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile (CID 118352544) is 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile is Cc1cc(-c2ncc(-c3ccc(C#N)cc3)cc2/C=C/c2ccccc2)cnc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile?
The InChIKey is QSMGHAMEFSJFOS-FRKPEAEDSA-N. The full InChI is InChI=1S/C33H22N4/c1-23-17-31(22-36-32(23)28-14-10-26(20-35)11-15-28)33-29(16-7-24-5-3-2-4-6-24)18-30(21-37-33)27-12-8-25(19-34)9-13-27/h2-18,21-22H,1H3/b16-7+.
What are the key properties of 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile?
4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile has a molecular weight of 474.57 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(4-cyanophenyl)-5-methyl-3-pyridinyl]-5-[(E)-2-phenylethenyl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 118352544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).