10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole

C54H32N4 — CID 162481423

About 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole

10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole (PubChem CID 162481423) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
• PubChem CID: 162481423
• Molecular Formula: C54H32N4
• Molecular Weight: 736.88 g/mol
• Exact Mass: 736.26
• IUPAC Name: 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
• SMILES: c1ccc2c(c1)ccc1ccc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4c4c5ccccc5ccc43)cc12
• InChI: InChI=1S/C54H32N4/c1-4-14-39-33(11-1)21-22-36-23-24-37(31-43(36)39)53-54(56-46-19-9-8-18-45(46)55-53)58-48-30-27-38(32-44(48)52-41-16-6-3-13-35(41)26-29-50(52)58)57-47-20-10-7-17-42(47)51-40-15-5-2-12-34(40)25-28-49(51)57/h1-32H
• InChIKey: PZDYJGBHTHEBHV-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.88
LogP ≤ 5	14.10
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 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole?

The IUPAC name of 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole (CID 162481423) is 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole.

What is the SMILES notation for 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole?

The canonical SMILES for 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole is c1ccc2c(c1)ccc1ccc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4c4c5ccccc5ccc43)cc12.

What is the InChIKey of 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole?

The InChIKey is PZDYJGBHTHEBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4/c1-4-14-39-33(11-1)21-22-36-23-24-37(31-43(36)39)53-54(56-46-19-9-8-18-45(46)55-53)58-48-30-27-38(32-44(48)52-41-16-6-3-13-35(41)26-29-50(52)58)57-47-20-10-7-17-42(47)51-40-15-5-2-12-34(40)25-28-49(51)57/h1-32H.

What are the key properties of 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole?

10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole has a molecular weight of 736.88 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 162481423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).