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

C66H42N8 — CID 146609195

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

3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 146609195) has the molecular formula C66H42N8 and a molecular weight of 947.12 g/mol. Its IUPAC name is 3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 146609195
• Molecular Formula: C66H42N8
• Molecular Weight: 947.12 g/mol
• Exact Mass: 946.35
• IUPAC Name: 3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C66H42N8/c1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-39-48(40-50(41-49)73-56-33-17-13-29-51(56)52-30-14-18-34-57(52)73)47-37-38-60-55(42-47)53-31-15-19-35-58(53)74(60)59-36-20-16-32-54(59)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46/h1-42H
• InChIKey: XTYPDQNOVLMCAB-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.12
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 146609195) is 3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.

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

The InChIKey is XTYPDQNOVLMCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N8/c1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-39-48(40-50(41-49)73-56-33-17-13-29-51(56)52-30-14-18-34-57(52)73)47-37-38-60-55(42-47)53-31-15-19-35-58(53)74(60)59-36-20-16-32-54(59)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46/h1-42H.

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

3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 947.12 g/mol, XLogP of 15.92, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 146609195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).