4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile

C52H28N10 — CID 134321342

About 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile

4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 134321342) has the molecular formula C52H28N10 and a molecular weight of 792.87 g/mol. Its IUPAC name is 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 134321342
• Molecular Formula: C52H28N10
• Molecular Weight: 792.87 g/mol
• Exact Mass: 792.25
• IUPAC Name: 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
• SMILES: Cc1nc(C)nc(-c2c(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1
• InChI: InChI=1S/C52H28N10/c1-30-58-31(2)60-52(59-30)51-49(61-45-9-5-3-7-41(45)43-17-13-35(23-47(43)61)39-15-11-32(25-53)19-37(39)28-56)21-34(27-55)22-50(51)62-46-10-6-4-8-42(46)44-18-14-36(24-48(44)62)40-16-12-33(26-54)20-38(40)29-57/h3-24H,1-2H3
• InChIKey: DQWKSZHXYOAQBJ-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 167.48 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.87
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 134321342) is 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile is Cc1nc(C)nc(-c2c(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1.

What is the InChIKey of 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile?

The InChIKey is DQWKSZHXYOAQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N10/c1-30-58-31(2)60-52(59-30)51-49(61-45-9-5-3-7-41(45)43-17-13-35(23-47(43)61)39-15-11-32(25-53)19-37(39)28-56)21-34(27-55)22-50(51)62-46-10-6-4-8-42(46)44-18-14-36(24-48(44)62)40-16-12-33(26-54)20-38(40)29-57/h3-24H,1-2H3.

What are the key properties of 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile?

4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 792.87 g/mol, XLogP of 11.04, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 134321342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).