bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane

C52H48P2 — CID 22952292

About bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane

bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane (PubChem CID 22952292) has the molecular formula C52H48P2 and a molecular weight of 734.90 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane.

Molecular Properties

• Compound Name: bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane
• PubChem CID: 22952292
• Molecular Formula: C52H48P2
• Molecular Weight: 734.90 g/mol
• Exact Mass: 734.32
• IUPAC Name: bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane
• SMILES: Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3ccc(C)c(C)c3)ccc3ccccc23)c1
• InChI: InChI=1S/C52H48P2/c1-33-23-34(2)27-44(26-33)53(43-20-17-39(7)40(8)32-43)49-21-18-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)19-22-50(52)54(45-28-35(3)24-36(4)29-45)46-30-37(5)25-38(6)31-46/h9-32H,1-8H3
• InChIKey: CMDPPAPSWHFAOP-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.90
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

The IUPAC name of bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane (CID 22952292) is bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane.

What is the SMILES notation for bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

The canonical SMILES for bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3ccc(C)c(C)c3)ccc3ccccc23)c1.

What is the InChIKey of bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

The InChIKey is CMDPPAPSWHFAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48P2/c1-33-23-34(2)27-44(26-33)53(43-20-17-39(7)40(8)32-43)49-21-18-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)19-22-50(52)54(45-28-35(3)24-36(4)29-45)46-30-37(5)25-38(6)31-46/h9-32H,1-8H3.

What are the key properties of bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane has a molecular weight of 734.90 g/mol, XLogP of 11.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane is sourced from PubChem (CID 22952292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).