3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)

C34H40P2Pt — CID 134888828

IUPAC3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
SMILES[CH2-]CCCCC[CH2-].[Pt+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.C7H14.Pt/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-3-5-7-6-4-2;/h1-12,14-21H,13,22-23H2;1-7H2;/q;-2;+2
InChIKeyKXIREJCPEIQMNX-UHFFFAOYSA-N
MW705.72 g/mol
LogP8.24
Rot. Bonds12

About 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)

3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+) (PubChem CID 134888828) has the molecular formula C34H40P2Pt and a molecular weight of 705.72 g/mol. Its IUPAC name is 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+).

Molecular Properties

Compound Name3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
PubChem CID134888828
Molecular FormulaC34H40P2Pt
Molecular Weight705.72 g/mol
Exact Mass705.23
IUPAC Name3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
SMILES[CH2-]CCCCC[CH2-].[Pt+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.C7H14.Pt/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-3-5-7-6-4-2;/h1-12,14-21H,13,22-23H2;1-7H2;/q;-2;+2
InChIKeyKXIREJCPEIQMNX-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.72
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)?
The IUPAC name of 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+) (CID 134888828) is 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+).
What is the SMILES notation for 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)?
The canonical SMILES for 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+) is [CH2-]CCCCC[CH2-].[Pt+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)?
The InChIKey is KXIREJCPEIQMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P2.C7H14.Pt/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-3-5-7-6-4-2;/h1-12,14-21H,13,22-23H2;1-7H2;/q;-2;+2.
What are the key properties of 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)?
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+) has a molecular weight of 705.72 g/mol, XLogP of 8.24, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+) is sourced from PubChem (CID 134888828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).