dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)

C46H58Cl2N2O2P2Pd+2 — CID 135024140

About dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)

dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium) (PubChem CID 135024140) has the molecular formula C46H58Cl2N2O2P2Pd+2 and a molecular weight of 910.26 g/mol. Its IUPAC name is dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium).

Molecular Properties

• Compound Name: dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)
• PubChem CID: 135024140
• Molecular Formula: C46H58Cl2N2O2P2Pd+2
• Molecular Weight: 910.26 g/mol
• Exact Mass: 908.24
• IUPAC Name: dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)
• SMILES: CC(C)[C@H]1COC(C2CCCC2[PH+](c2ccccc2)c2ccccc2)=N1.CC(C)[C@H]1COC(C2CCCC2[PH+](c2ccccc2)c2ccccc2)=N1.Cl[Pd]Cl
• InChI: InChI=1S/2C23H28NOP.2ClH.Pd/c2*1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19;;;/h2*3-8,10-13,17,20-22H,9,14-16H2,1-2H3;2*1H;/q;;;;+2/t2*20?,21-,22?;;;/m11.../s1
• InChIKey: ZYRBRNVHLSCUEO-FLUWZLDBSA-N
• XLogP: 10.32
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.26
LogP ≤ 5	10.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)?

The IUPAC name of dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium) (CID 135024140) is dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium).

What is the SMILES notation for dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)?

The canonical SMILES for dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium) is CC(C)[C@H]1COC(C2CCCC2[PH+](c2ccccc2)c2ccccc2)=N1.CC(C)[C@H]1COC(C2CCCC2[PH+](c2ccccc2)c2ccccc2)=N1.Cl[Pd]Cl.

What is the InChIKey of dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)?

The InChIKey is ZYRBRNVHLSCUEO-FLUWZLDBSA-N. The full InChI is InChI=1S/2C23H28NOP.2ClH.Pd/c2*1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19;;;/h2*3-8,10-13,17,20-22H,9,14-16H2,1-2H3;2*1H;/q;;;;+2/t2*20?,21-,22?;;;/m11.../s1.

What are the key properties of dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium)?

dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium) has a molecular weight of 910.26 g/mol, XLogP of 10.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dichloropalladium;bis(diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphanium) is sourced from PubChem (CID 135024140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).