6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

C49H30N6 — CID 134509221

About 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134509221) has the molecular formula C49H30N6 and a molecular weight of 702.82 g/mol. Its IUPAC name is 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 134509221
• Molecular Formula: C49H30N6
• Molecular Weight: 702.82 g/mol
• Exact Mass: 702.25
• IUPAC Name: 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
• SMILES: c1ccc(-n2c(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c5ccccc45)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C49H30N6/c1-2-14-33(15-3-1)53-44-24-12-9-21-41(44)50-47(53)32-28-26-31(27-29-32)38-30-39-35-17-7-11-23-43(35)54(46(39)36-18-5-4-16-34(36)38)49-52-40-20-8-6-19-37(40)48-51-42-22-10-13-25-45(42)55(48)49/h1-30H
• InChIKey: WLGZIEUDOMLRQV-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 52.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.82
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The IUPAC name of 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (CID 134509221) is 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-n2c(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c5ccccc45)cc3)nc3ccccc32)cc1.

What is the InChIKey of 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

The InChIKey is WLGZIEUDOMLRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N6/c1-2-14-33(15-3-1)53-44-24-12-9-21-41(44)50-47(53)32-28-26-31(27-29-32)38-30-39-35-17-7-11-23-43(35)54(46(39)36-18-5-4-16-34(36)38)49-52-40-20-8-6-19-37(40)48-51-42-22-10-13-25-45(42)55(48)49/h1-30H.

What are the key properties of 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?

6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 702.82 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).