platinum(2+);bis(propan-1-one);bis(triphenylphosphane)

C42H40O2P2Pt — CID 11018297

IUPACplatinum(2+);bis(propan-1-one);bis(triphenylphosphane)
SMILESCC[C-]=O.CC[C-]=O.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C3H5O.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-3-4;/h2*1-15H;2*2H2,1H3;/q;;2*-1;+2
InChIKeyOWEJXUHJLFBXDM-UHFFFAOYSA-N
MW833.81 g/mol
LogP7.90
Rot. Bonds8

About platinum(2+);bis(propan-1-one);bis(triphenylphosphane)

platinum(2+);bis(propan-1-one);bis(triphenylphosphane) (PubChem CID 11018297) has the molecular formula C42H40O2P2Pt and a molecular weight of 833.81 g/mol. Its IUPAC name is platinum(2+);bis(propan-1-one);bis(triphenylphosphane).

Molecular Properties

Compound Nameplatinum(2+);bis(propan-1-one);bis(triphenylphosphane)
PubChem CID11018297
Molecular FormulaC42H40O2P2Pt
Molecular Weight833.81 g/mol
Exact Mass833.22
IUPAC Nameplatinum(2+);bis(propan-1-one);bis(triphenylphosphane)
SMILESCC[C-]=O.CC[C-]=O.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C3H5O.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-3-4;/h2*1-15H;2*2H2,1H3;/q;;2*-1;+2
InChIKeyOWEJXUHJLFBXDM-UHFFFAOYSA-N
XLogP7.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.81
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis(propan-1-one);bis(triphenylphosphane)?
The IUPAC name of platinum(2+);bis(propan-1-one);bis(triphenylphosphane) (CID 11018297) is platinum(2+);bis(propan-1-one);bis(triphenylphosphane).
What is the SMILES notation for platinum(2+);bis(propan-1-one);bis(triphenylphosphane)?
The canonical SMILES for platinum(2+);bis(propan-1-one);bis(triphenylphosphane) is CC[C-]=O.CC[C-]=O.[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of platinum(2+);bis(propan-1-one);bis(triphenylphosphane)?
The InChIKey is OWEJXUHJLFBXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2C3H5O.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-3-4;/h2*1-15H;2*2H2,1H3;/q;;2*-1;+2.
What are the key properties of platinum(2+);bis(propan-1-one);bis(triphenylphosphane)?
platinum(2+);bis(propan-1-one);bis(triphenylphosphane) has a molecular weight of 833.81 g/mol, XLogP of 7.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);bis(propan-1-one);bis(triphenylphosphane) is sourced from PubChem (CID 11018297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).