platinum;tris(tris(4-methylphenyl)phosphane)

C63H63P3Pt — CID 71361072

IUPACplatinum;tris(tris(4-methylphenyl)phosphane)
SMILESCc1ccc(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.[Pt]
InChIInChI=1S/3C21H21P.Pt/c3*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;/h3*4-15H,1-3H3;
InChIKeySSTRLPZZUUXBMA-UHFFFAOYSA-N
MW1108.20 g/mol
LogP13.11
Rot. Bonds9

About platinum;tris(tris(4-methylphenyl)phosphane)

platinum;tris(tris(4-methylphenyl)phosphane) (PubChem CID 71361072) has the molecular formula C63H63P3Pt and a molecular weight of 1108.20 g/mol. Its IUPAC name is platinum;tris(tris(4-methylphenyl)phosphane).

Molecular Properties

Compound Nameplatinum;tris(tris(4-methylphenyl)phosphane)
PubChem CID71361072
Molecular FormulaC63H63P3Pt
Molecular Weight1108.20 g/mol
Exact Mass1107.38
IUPAC Nameplatinum;tris(tris(4-methylphenyl)phosphane)
SMILESCc1ccc(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.[Pt]
InChIInChI=1S/3C21H21P.Pt/c3*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;/h3*4-15H,1-3H3;
InChIKeySSTRLPZZUUXBMA-UHFFFAOYSA-N
XLogP13.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.20
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of platinum;tris(tris(4-methylphenyl)phosphane)?
The IUPAC name of platinum;tris(tris(4-methylphenyl)phosphane) (CID 71361072) is platinum;tris(tris(4-methylphenyl)phosphane).
What is the SMILES notation for platinum;tris(tris(4-methylphenyl)phosphane)?
The canonical SMILES for platinum;tris(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.[Pt].
What is the InChIKey of platinum;tris(tris(4-methylphenyl)phosphane)?
The InChIKey is SSTRLPZZUUXBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H21P.Pt/c3*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;/h3*4-15H,1-3H3;.
What are the key properties of platinum;tris(tris(4-methylphenyl)phosphane)?
platinum;tris(tris(4-methylphenyl)phosphane) has a molecular weight of 1108.20 g/mol, XLogP of 13.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;tris(tris(4-methylphenyl)phosphane) is sourced from PubChem (CID 71361072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).