dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

C62H59Cl2P3Pd — CID 118856545

About dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (PubChem CID 118856545) has the molecular formula C62H59Cl2P3Pd and a molecular weight of 1074.40 g/mol. Its IUPAC name is dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

• Compound Name: dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
• PubChem CID: 118856545
• Molecular Formula: C62H59Cl2P3Pd
• Molecular Weight: 1074.40 g/mol
• Exact Mass: 1072.22
• IUPAC Name: dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
• SMILES: Cl[Pd]Cl.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
• InChI: InChI=1S/C44H32P2.C18H27P.2ClH.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-32H;1,4-5,10-11,17-18H,2-3,6-9,12-15H2;2*1H;/q;;;;+2/p-2
• InChIKey: RTTVDAMGXCEJBI-UHFFFAOYSA-L
• XLogP: 16.01
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.40
LogP ≤ 5	16.01
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 dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?

The IUPAC name of dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (CID 118856545) is dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.

What is the SMILES notation for dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?

The canonical SMILES for dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is Cl[Pd]Cl.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.

What is the InChIKey of dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?

The InChIKey is RTTVDAMGXCEJBI-UHFFFAOYSA-L. The full InChI is InChI=1S/C44H32P2.C18H27P.2ClH.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-32H;1,4-5,10-11,17-18H,2-3,6-9,12-15H2;2*1H;/q;;;;+2/p-2.

What are the key properties of dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?

dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane has a molecular weight of 1074.40 g/mol, XLogP of 16.01, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 118856545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).