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

C66H42N8 — CID 89296040

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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole (PubChem CID 89296040) has the molecular formula C66H42N8 and a molecular weight of 947.12 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
• PubChem CID: 89296040
• Molecular Formula: C66H42N8
• Molecular Weight: 947.12 g/mol
• Exact Mass: 946.35
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5cccc(-c6cccc(-c7cccc8c9ccccc9n(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c78)c6)c5)c43)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)73-57-39-15-13-33-53(57)55-37-19-35-51(59(55)73)49-31-17-29-47(41-49)48-30-18-32-50(42-48)52-36-20-38-56-54-34-14-16-40-58(54)74(60(52)56)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46/h1-42H
• InChIKey: QWOQFKZRNMBOHX-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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole?

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole (CID 89296040) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5cccc(-c6cccc(-c7cccc8c9ccccc9n(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c78)c6)c5)c43)n2)cc1.

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

The InChIKey is QWOQFKZRNMBOHX-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)73-57-39-15-13-33-53(57)55-37-19-35-51(59(55)73)49-31-17-29-47(41-49)48-30-18-32-50(42-48)52-36-20-38-56-54-34-14-16-40-58(54)74(60(52)56)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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole?

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 89296040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).