9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole

C59H37N3 — CID 139500953

About 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole

9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole (PubChem CID 139500953) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol. Its IUPAC name is 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
• PubChem CID: 139500953
• Molecular Formula: C59H37N3
• Molecular Weight: 787.97 g/mol
• Exact Mass: 787.30
• IUPAC Name: 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C59H37N3/c1-2-16-38(17-3-1)41-36-54(60-59(37-41)62-57-28-14-10-24-51(57)52-25-11-15-29-58(52)62)42-32-40(33-43(34-42)61-55-26-12-8-22-49(55)50-23-9-13-27-56(50)61)39-30-31-48-46-20-5-4-18-44(46)45-19-6-7-21-47(45)53(48)35-39/h1-37H
• InChIKey: OIJVPIFLMNBPTR-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.97
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole?

The IUPAC name of 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole (CID 139500953) is 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole.

What is the SMILES notation for 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole?

The canonical SMILES for 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole is c1ccc(-c2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole?

The InChIKey is OIJVPIFLMNBPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3/c1-2-16-38(17-3-1)41-36-54(60-59(37-41)62-57-28-14-10-24-51(57)52-25-11-15-29-58(52)62)42-32-40(33-43(34-42)61-55-26-12-8-22-49(55)50-23-9-13-27-56(50)61)39-30-31-48-46-20-5-4-18-44(46)45-19-6-7-21-47(45)53(48)35-39/h1-37H.

What are the key properties of 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole?

9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole has a molecular weight of 787.97 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole is sourced from PubChem (CID 139500953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).