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

C55H32N10 — CID 166968161

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 166968161) has the molecular formula C55H32N10 and a molecular weight of 832.93 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 166968161
• Molecular Formula: C55H32N10
• Molecular Weight: 832.93 g/mol
• Exact Mass: 832.28
• IUPAC Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C55H32N10/c56-32-35-21-24-47-43(29-35)44-30-36(33-57)22-25-48(44)65(47)49-26-23-41(54-61-50(37-13-5-1-6-14-37)59-51(62-54)38-15-7-2-8-16-38)31-45(49)42-27-28-58-34-46(42)55-63-52(39-17-9-3-10-18-39)60-53(64-55)40-19-11-4-12-20-40/h1-31,34H
• InChIKey: QOGDDROVSAFADF-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 142.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.93
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile (CID 166968161) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile.

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

The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

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

The InChIKey is QOGDDROVSAFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N10/c56-32-35-21-24-47-43(29-35)44-30-36(33-57)22-25-48(44)65(47)49-26-23-41(54-61-50(37-13-5-1-6-14-37)59-51(62-54)38-15-7-2-8-16-38)31-45(49)42-27-28-58-34-46(42)55-63-52(39-17-9-3-10-18-39)60-53(64-55)40-19-11-4-12-20-40/h1-31,34H.

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 832.93 g/mol, XLogP of 11.96, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 166968161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).