4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline

C52H33N3 — CID 70958695

About 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline

4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline (PubChem CID 70958695) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline.

Molecular Properties

• Compound Name: 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
• PubChem CID: 70958695
• Molecular Formula: C52H33N3
• Molecular Weight: 699.86 g/mol
• Exact Mass: 699.27
• IUPAC Name: 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
• SMILES: c1ccc(-c2nc3cc(-c4cc(-c5ccc6ccccc6c5)nc5c4cc(-c4ccc6ccccc6c4)c4ccccc45)ccc3n2-c2ccccc2)cc1
• InChI: InChI=1S/C52H33N3/c1-3-15-36(16-4-1)52-54-49-31-40(27-28-50(49)55(52)42-19-5-2-6-20-42)46-33-48(41-26-24-35-14-8-10-18-38(35)30-41)53-51-44-22-12-11-21-43(44)45(32-47(46)51)39-25-23-34-13-7-9-17-37(34)29-39/h1-33H
• InChIKey: VLSUVGFDJOFTBD-UHFFFAOYSA-N
• XLogP: 13.70
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.86
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline?

The IUPAC name of 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline (CID 70958695) is 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline.

What is the SMILES notation for 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline?

The canonical SMILES for 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline is c1ccc(-c2nc3cc(-c4cc(-c5ccc6ccccc6c5)nc5c4cc(-c4ccc6ccccc6c4)c4ccccc45)ccc3n2-c2ccccc2)cc1.

What is the InChIKey of 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline?

The InChIKey is VLSUVGFDJOFTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-3-15-36(16-4-1)52-54-49-31-40(27-28-50(49)55(52)42-19-5-2-6-20-42)46-33-48(41-26-24-35-14-8-10-18-38(35)30-41)53-51-44-22-12-11-21-43(44)45(32-47(46)51)39-25-23-34-13-7-9-17-37(34)29-39/h1-33H.

What are the key properties of 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline?

4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline has a molecular weight of 699.86 g/mol, XLogP of 13.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline is sourced from PubChem (CID 70958695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).