1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole

C58H34N4 — CID 146375248

About 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole

1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole (PubChem CID 146375248) has the molecular formula C58H34N4 and a molecular weight of 786.94 g/mol. Its IUPAC name is 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole.

Molecular Properties

• Compound Name: 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole
• PubChem CID: 146375248
• Molecular Formula: C58H34N4
• Molecular Weight: 786.94 g/mol
• Exact Mass: 786.28
• IUPAC Name: 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2c1c1cc3ccccc3cc1n2-c1nc2ccccc2nc1-c1ccc2c3ccccc3c3ccccc3c2c1
• InChI: InChI=1S/C58H34N4/c1-3-16-37-33-54-47(30-35(37)14-1)45-22-9-12-25-51(45)61(54)52-26-13-27-53-56(52)48-31-36-15-2-4-17-38(36)34-55(48)62(53)58-57(59-49-23-10-11-24-50(49)60-58)39-28-29-44-42-20-6-5-18-40(42)41-19-7-8-21-43(41)46(44)32-39/h1-34H
• InChIKey: APEPHDKVWWOWSM-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.94
LogP ≤ 5	15.26
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 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole?

The IUPAC name of 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole (CID 146375248) is 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole.

What is the SMILES notation for 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole?

The canonical SMILES for 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2c1c1cc3ccccc3cc1n2-c1nc2ccccc2nc1-c1ccc2c3ccccc3c3ccccc3c2c1.

What is the InChIKey of 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole?

The InChIKey is APEPHDKVWWOWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4/c1-3-16-37-33-54-47(30-35(37)14-1)45-22-9-12-25-51(45)61(54)52-26-13-27-53-56(52)48-31-36-15-2-4-17-38(36)34-55(48)62(53)58-57(59-49-23-10-11-24-50(49)60-58)39-28-29-44-42-20-6-5-18-40(42)41-19-7-8-21-43(41)46(44)32-39/h1-34H.

What are the key properties of 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole?

1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole has a molecular weight of 786.94 g/mol, XLogP of 15.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).