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

C64H38N4 — CID 146375849

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

3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375849) has the molecular formula C64H38N4 and a molecular weight of 863.04 g/mol. Its IUPAC name is 3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 146375849
• Molecular Formula: C64H38N4
• Molecular Weight: 863.04 g/mol
• Exact Mass: 862.31
• IUPAC Name: 3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1n3-c1cccc2c(-c3nc4ccccc4nc3-c3ccc4c(ccc5ccccc54)c3)cccc12
• InChI: InChI=1S/C64H38N4/c1-2-16-42-37-60-54(36-41(42)15-1)51-33-31-45(67-58-25-10-7-19-53(58)62-48-18-6-4-14-40(48)30-34-59(62)67)38-61(51)68(60)57-26-12-20-49-50(57)21-11-22-52(49)64-63(65-55-23-8-9-24-56(55)66-64)44-29-32-47-43(35-44)28-27-39-13-3-5-17-46(39)47/h1-38H
• InChIKey: MMNKQFMKXYSUJZ-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 3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146375849) is 3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

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

The canonical SMILES for 3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1n3-c1cccc2c(-c3nc4ccccc4nc3-c3ccc4c(ccc5ccccc54)c3)cccc12.

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

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

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

3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-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 3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).