6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline

C46H29N4OP — CID 134509179

About 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline

6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline (PubChem CID 134509179) has the molecular formula C46H29N4OP and a molecular weight of 684.74 g/mol. Its IUPAC name is 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
• PubChem CID: 134509179
• Molecular Formula: C46H29N4OP
• Molecular Weight: 684.74 g/mol
• Exact Mass: 684.21
• IUPAC Name: 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
• SMILES: O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c3ccccc3n(-c3nc4ccccc4c4nc5ccccc5n34)c2c1
• InChI: InChI=1S/C46H29N4OP/c51-52(34-23-21-30-11-1-3-13-32(30)27-34,35-24-22-31-12-2-4-14-33(31)28-35)36-25-26-38-37-15-6-9-19-42(37)49(44(38)29-36)46-48-40-17-7-5-16-39(40)45-47-41-18-8-10-20-43(41)50(45)46/h1-29H
• InChIKey: WJXKWBYBKRIWDO-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 52.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.74
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline?

The IUPAC name of 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline (CID 134509179) is 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline is O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c3ccccc3n(-c3nc4ccccc4c4nc5ccccc5n34)c2c1.

What is the InChIKey of 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline?

The InChIKey is WJXKWBYBKRIWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N4OP/c51-52(34-23-21-30-11-1-3-13-32(30)27-34,35-24-22-31-12-2-4-14-33(31)28-35)36-25-26-38-37-15-6-9-19-42(37)49(44(38)29-36)46-48-40-17-7-5-16-39(40)45-47-41-18-8-10-20-43(41)50(45)46/h1-29H.

What are the key properties of 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline?

6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 684.74 g/mol, XLogP of 10.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).