bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)

C50H56P2Pt — CID 139239662

IUPACbis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
SMILESC=CCCCC[CH2-].C=CCCCC[CH2-].[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C7H13.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*1-3-5-7-6-4-2;/h2*1-15H;2*3H,1-2,4-7H2;/q;;2*-1;+2
InChIKeyCGJRDMKPNVRCFT-UHFFFAOYSA-N
MW914.02 g/mol
LogP12.02
Rot. Bonds14

About bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)

bis(hept-1-ene);platinum(2+);bis(triphenylphosphane) (PubChem CID 139239662) has the molecular formula C50H56P2Pt and a molecular weight of 914.02 g/mol. Its IUPAC name is bis(hept-1-ene);platinum(2+);bis(triphenylphosphane).

Molecular Properties

Compound Namebis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
PubChem CID139239662
Molecular FormulaC50H56P2Pt
Molecular Weight914.02 g/mol
Exact Mass913.35
IUPAC Namebis(hept-1-ene);platinum(2+);bis(triphenylphosphane)
SMILESC=CCCCC[CH2-].C=CCCCC[CH2-].[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C7H13.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*1-3-5-7-6-4-2;/h2*1-15H;2*3H,1-2,4-7H2;/q;;2*-1;+2
InChIKeyCGJRDMKPNVRCFT-UHFFFAOYSA-N
XLogP12.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.02
LogP ≤ 512.02
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'}

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Related Compounds

2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)
CID 139239614
but-1-ene;2-diphenylphosphanylethyl(diphenyl)phosphane;pent-1-ene;platinum(2+)
CID 139239631
triphenylphosphane;tris(prop-2-enyl)phosphane
CID 175264539
triphenyl(undec-10-enyl)phosphanium
CID 3716115
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
CID 139239630
carbanide;platinum(2+);bis(triphenylphosphane)
CID 11007152
benzoic acid;tungsten;undec-1-ene;hexahydrochloride
CID 173418738
triphenylphosphane
CID 139056248
sodium;benzenesulfonic acid;dodec-1-ene
CID 87233475
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
lithium hex-1-ene
CID 10964413

Frequently Asked Questions

What is the IUPAC name of bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)?
The IUPAC name of bis(hept-1-ene);platinum(2+);bis(triphenylphosphane) (CID 139239662) is bis(hept-1-ene);platinum(2+);bis(triphenylphosphane).
What is the SMILES notation for bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)?
The canonical SMILES for bis(hept-1-ene);platinum(2+);bis(triphenylphosphane) is C=CCCCC[CH2-].C=CCCCC[CH2-].[Pt+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)?
The InChIKey is CGJRDMKPNVRCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2C7H13.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*1-3-5-7-6-4-2;/h2*1-15H;2*3H,1-2,4-7H2;/q;;2*-1;+2.
What are the key properties of bis(hept-1-ene);platinum(2+);bis(triphenylphosphane)?
bis(hept-1-ene);platinum(2+);bis(triphenylphosphane) has a molecular weight of 914.02 g/mol, XLogP of 12.02, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hept-1-ene);platinum(2+);bis(triphenylphosphane) is sourced from PubChem (CID 139239662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).