tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum

C78H66P6Pt — CID 11979913

IUPACtris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum
SMILESC(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.[Pt]
InChIInChI=1S/3C26H22P2.Pt/c3*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h3*1-22H;/b3*22-21-;
InChIKeyPILXNTJUKRHPLR-WOFJCRHFSA-N
MW1384.31 g/mol
LogP17.17
Rot. Bonds18

About tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum

tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum (PubChem CID 11979913) has the molecular formula C78H66P6Pt and a molecular weight of 1384.31 g/mol. Its IUPAC name is tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum.

Molecular Properties

Compound Nametris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum
PubChem CID11979913
Molecular FormulaC78H66P6Pt
Molecular Weight1384.31 g/mol
Exact Mass1383.32
IUPAC Nametris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum
SMILESC(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.[Pt]
InChIInChI=1S/3C26H22P2.Pt/c3*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h3*1-22H;/b3*22-21-;
InChIKeyPILXNTJUKRHPLR-WOFJCRHFSA-N
XLogP17.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001384.31
LogP ≤ 517.17
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 tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum?
The IUPAC name of tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum (CID 11979913) is tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum.
What is the SMILES notation for tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum?
The canonical SMILES for tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum is C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.[Pt].
What is the InChIKey of tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum?
The InChIKey is PILXNTJUKRHPLR-WOFJCRHFSA-N. The full InChI is InChI=1S/3C26H22P2.Pt/c3*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h3*1-22H;/b3*22-21-;.
What are the key properties of tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum?
tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum has a molecular weight of 1384.31 g/mol, XLogP of 17.17, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris([(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane);platinum is sourced from PubChem (CID 11979913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).