acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate

C28H26NOP2Pt- — CID 134882835

IUPACacetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate
SMILESC(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.O.[CH2-]C#N.[Pt]
InChIInChI=1S/C26H22P2.C2H2N.H2O.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;;/h1-22H;1H2;1H2;/q;-1;;/b22-21-;;;
InChIKeyZOTJGHRIWTVKSS-FAIYXUOWSA-N
MW649.55 g/mol
LogP5.24
Rot. Bonds6

About acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate

acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate (PubChem CID 134882835) has the molecular formula C28H26NOP2Pt- and a molecular weight of 649.55 g/mol. Its IUPAC name is acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate.

Molecular Properties

Compound Nameacetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate
PubChem CID134882835
Molecular FormulaC28H26NOP2Pt-
Molecular Weight649.55 g/mol
Exact Mass649.11
IUPAC Nameacetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate
SMILESC(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.O.[CH2-]C#N.[Pt]
InChIInChI=1S/C26H22P2.C2H2N.H2O.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;;/h1-22H;1H2;1H2;/q;-1;;/b22-21-;;;
InChIKeyZOTJGHRIWTVKSS-FAIYXUOWSA-N
XLogP5.24
TPSA55.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.55
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate?
The IUPAC name of acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate (CID 134882835) is acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate.
What is the SMILES notation for acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate?
The canonical SMILES for acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate is C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.O.[CH2-]C#N.[Pt].
What is the InChIKey of acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate?
The InChIKey is ZOTJGHRIWTVKSS-FAIYXUOWSA-N. The full InChI is InChI=1S/C26H22P2.C2H2N.H2O.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;;/h1-22H;1H2;1H2;/q;-1;;/b22-21-;;;.
What are the key properties of acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate?
acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate has a molecular weight of 649.55 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane;platinum;hydrate is sourced from PubChem (CID 134882835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).