8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C64H38N4 — CID 146375225

About 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole

8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375225) has the molecular formula C64H38N4 and a molecular weight of 863.04 g/mol. Its IUPAC name is 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 146375225
• Molecular Formula: C64H38N4
• Molecular Weight: 863.04 g/mol
• Exact Mass: 862.31
• IUPAC Name: 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1cc(-n2c3ccccc3c3cc4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4cc32)c2ccc(-c3nc4ccccc4nc3-c3ccc4ccc5ccccc5c4c3)cc2c1
• InChI: InChI=1S/C64H38N4/c1-3-15-48-39(12-1)24-25-41-26-27-45(37-53(41)48)64-63(65-55-19-7-8-20-56(55)66-64)44-29-32-49-43(34-44)14-11-23-57(49)68-58-21-9-5-17-51(58)54-36-42-28-31-47(35-46(42)38-61(54)68)67-59-22-10-6-18-52(59)62-50-16-4-2-13-40(50)30-33-60(62)67/h1-38H
• InChIKey: YAWXEMGLYKKNON-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.04
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146375225) is 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

What is the SMILES notation for 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The canonical SMILES for 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1cc(-n2c3ccccc3c3cc4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4cc32)c2ccc(-c3nc4ccccc4nc3-c3ccc4ccc5ccccc5c4c3)cc2c1.

What is the InChIKey of 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The InChIKey is YAWXEMGLYKKNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4/c1-3-15-48-39(12-1)24-25-41-26-27-45(37-53(41)48)64-63(65-55-19-7-8-20-56(55)66-64)44-29-32-49-43(34-44)14-11-23-57(49)68-58-21-9-5-17-51(58)54-36-42-28-31-47(35-46(42)38-61(54)68)67-59-22-10-6-18-52(59)62-50-16-4-2-13-40(50)30-33-60(62)67/h1-38H.

What are the key properties of 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 863.04 g/mol, XLogP of 16.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).