[4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane

C43H28NOP — CID 146489640

About [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane

[4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane (PubChem CID 146489640) has the molecular formula C43H28NOP and a molecular weight of 605.68 g/mol. Its IUPAC name is [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane.

Molecular Properties

• Compound Name: [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane
• PubChem CID: 146489640
• Molecular Formula: C43H28NOP
• Molecular Weight: 605.68 g/mol
• Exact Mass: 605.19
• IUPAC Name: [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane
• SMILES: c1ccc(P(c2ccccc2)c2ccc(-c3cccc4nc(-c5cccc6ccccc56)c5oc6ccccc6c5c34)cc2)cc1
• InChI: InChI=1S/C43H28NOP/c1-3-15-31(16-4-1)46(32-17-5-2-6-18-32)33-27-25-30(26-28-33)35-21-12-23-38-40(35)41-37-20-9-10-24-39(37)45-43(41)42(44-38)36-22-11-14-29-13-7-8-19-34(29)36/h1-28H
• InChIKey: LTWCAWHNVCHSSM-UHFFFAOYSA-N
• XLogP: 10.38
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.68
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane?

The IUPAC name of [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane (CID 146489640) is [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane.

What is the SMILES notation for [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane?

The canonical SMILES for [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc(-c3cccc4nc(-c5cccc6ccccc56)c5oc6ccccc6c5c34)cc2)cc1.

What is the InChIKey of [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane?

The InChIKey is LTWCAWHNVCHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28NOP/c1-3-15-31(16-4-1)46(32-17-5-2-6-18-32)33-27-25-30(26-28-33)35-21-12-23-38-40(35)41-37-20-9-10-24-39(37)45-43(41)42(44-38)36-22-11-14-29-13-7-8-19-34(29)36/h1-28H.

What are the key properties of [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane?

[4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane has a molecular weight of 605.68 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 146489640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).