bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)

C92H84Cl2P4Pt2 — CID 134977732

About bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)

bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane) (PubChem CID 134977732) has the molecular formula C92H84Cl2P4Pt2 and a molecular weight of 1774.64 g/mol. Its IUPAC name is bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane).

Molecular Properties

• Compound Name: bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)
• PubChem CID: 134977732
• Molecular Formula: C92H84Cl2P4Pt2
• Molecular Weight: 1774.64 g/mol
• Exact Mass: 1772.42
• IUPAC Name: bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)
• SMILES: Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cl[Pt+].Cl[Pt+].[C-]#CC#CC#CC#[C-]
• InChI: InChI=1S/4C21H21P.C8.2ClH.2Pt/c4*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-3-5-7-8-6-4-2;;;;/h4*4-15H,1-3H3;;2*1H;;/q;;;;-2;;;2*+2/p-2
• InChIKey: QVHXVKUHZSVEEB-UHFFFAOYSA-L
• XLogP: 19.03
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1774.64
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)?

The IUPAC name of bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane) (CID 134977732) is bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane).

What is the SMILES notation for bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)?

The canonical SMILES for bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane) is Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cl[Pt+].Cl[Pt+].[C-]#CC#CC#CC#[C-].

What is the InChIKey of bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)?

The InChIKey is QVHXVKUHZSVEEB-UHFFFAOYSA-L. The full InChI is InChI=1S/4C21H21P.C8.2ClH.2Pt/c4*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-3-5-7-8-6-4-2;;;;/h4*4-15H,1-3H3;;2*1H;;/q;;;;-2;;;2*+2/p-2.

What are the key properties of bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)?

bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane) has a molecular weight of 1774.64 g/mol, XLogP of 19.03, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane) is sourced from PubChem (CID 134977732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).