9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile

C32H24N4 — CID 146538276

About 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile

9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 146538276) has the molecular formula C32H24N4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 146538276
• Molecular Formula: C32H24N4
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.20
• IUPAC Name: 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: CC1NC(C#N)=CCC1c1cccc(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
• InChI: InChI=1S/C32H24N4/c1-21-28(14-13-26(20-34)35-21)25-8-4-6-23(17-25)24-7-5-9-27(18-24)36-31-11-3-2-10-29(31)30-16-22(19-33)12-15-32(30)36/h2-13,15-18,21,28,35H,14H2,1H3
• InChIKey: UHSBDNHUEFVLHJ-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 64.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile (CID 146538276) is 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile is CC1NC(C#N)=CCC1c1cccc(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.

What is the InChIKey of 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile?

The InChIKey is UHSBDNHUEFVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4/c1-21-28(14-13-26(20-34)35-21)25-8-4-6-23(17-25)24-7-5-9-27(18-24)36-31-11-3-2-10-29(31)30-16-22(19-33)12-15-32(30)36/h2-13,15-18,21,28,35H,14H2,1H3.

What are the key properties of 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile?

9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 464.57 g/mol, XLogP of 7.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-(6-cyano-2-methyl-1,2,3,4-tetrahydropyridin-3-yl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 146538276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).