9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile

C62H32N10 — CID 139496004

About 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile

9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 139496004) has the molecular formula C62H32N10 and a molecular weight of 917.01 g/mol. Its IUPAC name is 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 139496004
• Molecular Formula: C62H32N10
• Molecular Weight: 917.01 g/mol
• Exact Mass: 916.28
• IUPAC Name: 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
• SMILES: N#Cc1cccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)ccc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
• InChI: InChI=1S/C62H32N10/c63-33-38-8-7-13-45(26-38)48-31-46(18-24-54(48)71-56-20-14-39(34-64)27-50(56)51-28-40(35-65)15-21-57(51)71)49-32-47(62-69-60(43-9-3-1-4-10-43)68-61(70-62)44-11-5-2-6-12-44)19-25-55(49)72-58-22-16-41(36-66)29-52(58)53-30-42(37-67)17-23-59(53)72/h1-32H
• InChIKey: YJUFJBRFCWYWHC-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 167.48 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.01
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?

The IUPAC name of 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile (CID 139496004) is 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile.

What is the SMILES notation for 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?

The canonical SMILES for 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile is N#Cc1cccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)ccc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1.

What is the InChIKey of 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?

The InChIKey is YJUFJBRFCWYWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H32N10/c63-33-38-8-7-13-45(26-38)48-31-46(18-24-54(48)71-56-20-14-39(34-64)27-50(56)51-28-40(35-65)15-21-57(51)71)49-32-47(62-69-60(43-9-3-1-4-10-43)68-61(70-62)44-11-5-2-6-12-44)19-25-55(49)72-58-22-16-41(36-66)29-52(58)53-30-42(37-67)17-23-59(53)72/h1-32H.

What are the key properties of 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?

9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 917.01 g/mol, XLogP of 13.76, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 139496004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).