2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile

C29H27NP2Pt — CID 11828411

IUPAC2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile
SMILESC=CC#N.[Pt].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C3H3N.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;1-2-3-4;/h1-20H,21-22H2;2H,1H2;
InChIKeyRTNYCRPCVIXYIY-UHFFFAOYSA-N
MW646.57 g/mol
LogP5.95
Rot. Bonds7

About 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile

2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile (PubChem CID 11828411) has the molecular formula C29H27NP2Pt and a molecular weight of 646.57 g/mol. Its IUPAC name is 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile.

Molecular Properties

Compound Name2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile
PubChem CID11828411
Molecular FormulaC29H27NP2Pt
Molecular Weight646.57 g/mol
Exact Mass646.13
IUPAC Name2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile
SMILESC=CC#N.[Pt].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C3H3N.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;1-2-3-4;/h1-20H,21-22H2;2H,1H2;
InChIKeyRTNYCRPCVIXYIY-UHFFFAOYSA-N
XLogP5.95
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
CID 10441227
pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
CID 10395690
bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
CID 11982236
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)
CID 139239614
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
prop-2-enenitrile;styrene
CID 69431186
but-1-ene;2-diphenylphosphanylethyl(diphenyl)phosphane;pent-1-ene;platinum(2+)
CID 139239631
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile?
The IUPAC name of 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile (CID 11828411) is 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile.
What is the SMILES notation for 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile?
The canonical SMILES for 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile is C=CC#N.[Pt].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile?
The InChIKey is RTNYCRPCVIXYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.C3H3N.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;1-2-3-4;/h1-20H,21-22H2;2H,1H2;.
What are the key properties of 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile?
2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile has a molecular weight of 646.57 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile is sourced from PubChem (CID 11828411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).