bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)

C35H40P2Pt — CID 139239630

IUPACbis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
SMILESC=CC[CH2-].C=CC[CH2-].[Pt+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.2C4H7.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;2*1-3-4-2;/h1-12,14-21H,13,22-23H2;2*3H,1-2,4H2;/q;2*-1;+2
InChIKeyGPZMMVWUVGWCOD-UHFFFAOYSA-N
MW717.73 g/mol
LogP8.43
Rot. Bonds10

About bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)

bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+) (PubChem CID 139239630) has the molecular formula C35H40P2Pt and a molecular weight of 717.73 g/mol. Its IUPAC name is bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+).

Molecular Properties

Compound Namebis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
PubChem CID139239630
Molecular FormulaC35H40P2Pt
Molecular Weight717.73 g/mol
Exact Mass717.23
IUPAC Namebis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
SMILESC=CC[CH2-].C=CC[CH2-].[Pt+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.2C4H7.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;2*1-3-4-2;/h1-12,14-21H,13,22-23H2;2*3H,1-2,4H2;/q;2*-1;+2
InChIKeyGPZMMVWUVGWCOD-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.73
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;2-diphenylphosphanylethyl(diphenyl)phosphane;pent-1-ene;platinum(2+)
CID 139239631
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)
CID 139239614
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
CID 139239662
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile
CID 11828411
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride
CID 88731911
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904

Frequently Asked Questions

What is the IUPAC name of bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)?
The IUPAC name of bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+) (CID 139239630) is bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+).
What is the SMILES notation for bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)?
The canonical SMILES for bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+) is C=CC[CH2-].C=CC[CH2-].[Pt+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)?
The InChIKey is GPZMMVWUVGWCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P2.2C4H7.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;2*1-3-4-2;/h1-12,14-21H,13,22-23H2;2*3H,1-2,4H2;/q;2*-1;+2.
What are the key properties of bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)?
bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+) has a molecular weight of 717.73 g/mol, XLogP of 8.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+) is sourced from PubChem (CID 139239630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).