6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

C54H32N4 — CID 134508875

About 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508875) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 134508875
• Molecular Formula: C54H32N4
• Molecular Weight: 736.88 g/mol
• Exact Mass: 736.26
• IUPAC Name: 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc5ccccc5c5nc6ccccc6n45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C54H32N4/c1-2-15-35-31-36(26-25-33(35)13-1)50-39-17-5-7-19-41(39)51(42-20-8-6-18-40(42)50)37-28-29-47-44(32-37)52-38-16-4-3-14-34(38)27-30-49(52)57(47)54-56-45-22-10-9-21-43(45)53-55-46-23-11-12-24-48(46)58(53)54/h1-32H
• InChIKey: XIOGIQBLMXIELC-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 35.12 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	14.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?

The IUPAC name of 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (CID 134508875) is 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc5ccccc5c5nc6ccccc6n45)c4ccccc34)ccc2c1.

What is the InChIKey of 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?

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

What are the key properties of 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?

6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 736.88 g/mol, XLogP of 14.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).