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

C66H42N8 — CID 177087593

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

9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole (PubChem CID 177087593) has the molecular formula C66H42N8 and a molecular weight of 947.12 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
• PubChem CID: 177087593
• Molecular Formula: C66H42N8
• Molecular Weight: 947.12 g/mol
• Exact Mass: 946.35
• IUPAC Name: 9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C66H42N8/c1-6-24-43(25-7-1)58-59(73-54-38-20-16-34-48(54)49-35-17-21-39-55(49)73)52(65-69-61(44-26-8-2-9-27-44)67-62(70-65)45-28-10-3-11-29-45)42-53(60(58)74-56-40-22-18-36-50(56)51-37-19-23-41-57(51)74)66-71-63(46-30-12-4-13-31-46)68-64(72-66)47-32-14-5-15-33-47/h1-42H
• InChIKey: PDCOWIUZYXCWON-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-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole (CID 177087593) is 9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole.

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

The canonical SMILES for 9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1.

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

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

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

9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]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-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole is sourced from PubChem (CID 177087593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).