2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide

C40H29N2OP — CID 58399888

About 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide

2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 58399888) has the molecular formula C40H29N2OP and a molecular weight of 584.66 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
• PubChem CID: 58399888
• Molecular Formula: C40H29N2OP
• Molecular Weight: 584.66 g/mol
• Exact Mass: 584.20
• IUPAC Name: 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
• SMILES: O=P1(c2cccc3ccccc23)N(c2cccc(-c3ccccc3)c2)c2ccccc2N1c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C40H29N2OP/c43-44(40-27-13-19-32-18-7-8-24-37(32)40)41(35-22-11-20-33(28-35)30-14-3-1-4-15-30)38-25-9-10-26-39(38)42(44)36-23-12-21-34(29-36)31-16-5-2-6-17-31/h1-29H
• InChIKey: LVZOQMNNJXBYGD-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 23.55 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.66
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?

The IUPAC name of 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 58399888) is 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide.

What is the SMILES notation for 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?

The canonical SMILES for 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2cccc3ccccc23)N(c2cccc(-c3ccccc3)c2)c2ccccc2N1c1cccc(-c2ccccc2)c1.

What is the InChIKey of 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?

The InChIKey is LVZOQMNNJXBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N2OP/c43-44(40-27-13-19-32-18-7-8-24-37(32)40)41(35-22-11-20-33(28-35)30-14-3-1-4-15-30)38-25-9-10-26-39(38)42(44)36-23-12-21-34(29-36)31-16-5-2-6-17-31/h1-29H.

What are the key properties of 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?

2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 584.66 g/mol, XLogP of 10.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 58399888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).