6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole

C60H39N — CID 122492360

About 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole

6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole (PubChem CID 122492360) has the molecular formula C60H39N and a molecular weight of 773.98 g/mol. Its IUPAC name is 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
• PubChem CID: 122492360
• Molecular Formula: C60H39N
• Molecular Weight: 773.98 g/mol
• Exact Mass: 773.31
• IUPAC Name: 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)c3)cc2)cc1
• InChI: InChI=1S/C60H39N/c1-4-14-40(15-5-1)42-24-26-43(27-25-42)47-34-48(45-28-31-55-53-22-11-10-20-51(53)52-21-12-13-23-54(52)57(55)37-45)36-49(35-47)46-29-32-56-58-38-44(41-16-6-2-7-17-41)30-33-59(58)61(60(56)39-46)50-18-8-3-9-19-50/h1-39H
• InChIKey: REMJXRAIHSMYGV-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.98
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole?

The IUPAC name of 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole (CID 122492360) is 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole.

What is the SMILES notation for 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole?

The canonical SMILES for 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)c3)cc2)cc1.

What is the InChIKey of 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole?

The InChIKey is REMJXRAIHSMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N/c1-4-14-40(15-5-1)42-24-26-43(27-25-42)47-34-48(45-28-31-55-53-22-11-10-20-51(53)52-21-12-13-23-54(52)57(55)37-45)36-49(35-47)46-29-32-56-58-38-44(41-16-6-2-7-17-41)30-33-59(58)61(60(56)39-46)50-18-8-3-9-19-50/h1-39H.

What are the key properties of 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole?

6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole has a molecular weight of 773.98 g/mol, XLogP of 16.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole is sourced from PubChem (CID 122492360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).