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

C59H35N7 — CID 155232984

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

5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 155232984) has the molecular formula C59H35N7 and a molecular weight of 841.98 g/mol. Its IUPAC name is 5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 155232984
• Molecular Formula: C59H35N7
• Molecular Weight: 841.98 g/mol
• Exact Mass: 841.30
• IUPAC Name: 5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
• InChI: InChI=1S/C59H35N7/c60-36-38-30-39(37-61)32-45(31-38)44-24-27-49-47-20-10-13-23-53(47)66(56(49)35-44)55-29-26-43(42-25-28-54-50(33-42)48-21-11-12-22-52(48)65(54)46-18-8-3-9-19-46)34-51(55)59-63-57(40-14-4-1-5-15-40)62-58(64-59)41-16-6-2-7-17-41/h1-35H
• InChIKey: FNPLAQJMVSOFGE-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 96.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.98
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 155232984) is 5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile.

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

The canonical SMILES for 5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.

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

The InChIKey is FNPLAQJMVSOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N7/c60-36-38-30-39(37-61)32-45(31-38)44-24-27-49-47-20-10-13-23-53(47)66(56(49)35-44)55-29-26-43(42-25-28-54-50(33-42)48-21-11-12-22-52(48)65(54)46-18-8-3-9-19-46)34-51(55)59-63-57(40-14-4-1-5-15-40)62-58(64-59)41-16-6-2-7-17-41/h1-35H.

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

5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 841.98 g/mol, XLogP of 14.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155232984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).