2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)

C40H50P2Pt — CID 139239614

IUPAC2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)
SMILESC=CCCCC[CH2-].C=CCCCC[CH2-].[Pt+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C7H13.Pt/c1-5-13-23(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;2*1-3-5-7-6-4-2;/h1-20H,21-22H2;2*3H,1-2,4-7H2;/q;2*-1;+2
InChIKeySZRAVBREVYEBJB-UHFFFAOYSA-N
MW787.87 g/mol
LogP10.38
Rot. Bonds15

About 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)

2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+) (PubChem CID 139239614) has the molecular formula C40H50P2Pt and a molecular weight of 787.87 g/mol. Its IUPAC name is 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+).

Molecular Properties

Compound Name2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)
PubChem CID139239614
Molecular FormulaC40H50P2Pt
Molecular Weight787.87 g/mol
Exact Mass787.30
IUPAC Name2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)
SMILESC=CCCCC[CH2-].C=CCCCC[CH2-].[Pt+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C7H13.Pt/c1-5-13-23(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;2*1-3-5-7-6-4-2;/h1-20H,21-22H2;2*3H,1-2,4-7H2;/q;2*-1;+2
InChIKeySZRAVBREVYEBJB-UHFFFAOYSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.87
LogP ≤ 510.38
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-1-ene;2-diphenylphosphanylethyl(diphenyl)phosphane;pent-1-ene;platinum(2+)
CID 139239631
bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
CID 139239662
bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
CID 139239630
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile
CID 11828411
triphenyl(undec-10-enyl)phosphanium
CID 3716115
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
benzoic acid;tungsten;undec-1-ene;hexahydrochloride
CID 173418738

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)?
The IUPAC name of 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+) (CID 139239614) is 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+).
What is the SMILES notation for 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)?
The canonical SMILES for 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+) is C=CCCCC[CH2-].C=CCCCC[CH2-].[Pt+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)?
The InChIKey is SZRAVBREVYEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.2C7H13.Pt/c1-5-13-23(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;2*1-3-5-7-6-4-2;/h1-20H,21-22H2;2*3H,1-2,4-7H2;/q;2*-1;+2.
What are the key properties of 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)?
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+) has a molecular weight of 787.87 g/mol, XLogP of 10.38, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+) is sourced from PubChem (CID 139239614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).