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

C68H36N10 — CID 155003275

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

4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 155003275) has the molecular formula C68H36N10 and a molecular weight of 993.11 g/mol. Its IUPAC name is 4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 155003275
• Molecular Formula: C68H36N10
• Molecular Weight: 993.11 g/mol
• Exact Mass: 992.31
• IUPAC Name: 4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1
• InChI: InChI=1S/C68H36N10/c69-37-42-22-27-52(50(32-42)40-72)46-24-29-61-56(34-46)54-17-7-9-19-59(54)77(61)63-31-26-48(68-75-66(44-12-3-1-4-13-44)74-67(76-68)45-14-5-2-6-15-45)36-58(63)65-49(39-71)16-11-21-64(65)78-60-20-10-8-18-55(60)57-35-47(25-30-62(57)78)53-28-23-43(38-70)33-51(53)41-73/h1-36H
• InChIKey: GKVHGZATJCADGZ-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 167.48 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	993.11
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 155003275) is 4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

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

The canonical SMILES for 4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1.

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

The InChIKey is GKVHGZATJCADGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H36N10/c69-37-42-22-27-52(50(32-42)40-72)46-24-29-61-56(34-46)54-17-7-9-19-59(54)77(61)63-31-26-48(68-75-66(44-12-3-1-4-13-44)74-67(76-68)45-14-5-2-6-15-45)36-58(63)65-49(39-71)16-11-21-64(65)78-60-20-10-8-18-55(60)57-35-47(25-30-62(57)78)53-28-23-43(38-70)33-51(53)41-73/h1-36H.

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

4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 993.11 g/mol, XLogP of 15.43, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155003275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).