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

C62H32N10 — CID 139496068

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

9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 139496068) has the molecular formula C62H32N10 and a molecular weight of 917.01 g/mol. Its IUPAC name is 9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 139496068
• Molecular Formula: C62H32N10
• Molecular Weight: 917.01 g/mol
• Exact Mass: 916.28
• IUPAC Name: 9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
• SMILES: N#Cc1ccc(-c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c(-c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C62H32N10/c63-33-38-11-17-43(18-12-38)46-19-26-59(72-57-24-15-41(36-66)29-52(57)53-30-42(37-67)16-25-58(53)72)54(31-46)49-32-47(71-55-22-13-39(34-64)27-50(55)51-28-40(35-65)14-23-56(51)71)20-21-48(49)62-69-60(44-7-3-1-4-8-44)68-61(70-62)45-9-5-2-6-10-45/h1-32H
• InChIKey: FZJWJHPLZZQQLN-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-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile?

The IUPAC name of 9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile (CID 139496068) is 9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile.

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

The canonical SMILES for 9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc(-c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c(-c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.

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

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

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

9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)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-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 139496068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).