butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)

C40H39ClOP2Pt+2 — CID 6397135

IUPACbutan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)
SMILESCCC[C-]=O.Cl[Pt+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C4H7O.ClH.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5;;/h2*1-15H;2-3H2,1H3;1H;/q;;-1;;+2/p+1
InChIKeyDIVZEKBOPCSYOH-UHFFFAOYSA-O
MW828.23 g/mol
LogP7.94
Rot. Bonds8

About butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)

butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium) (PubChem CID 6397135) has the molecular formula C40H39ClOP2Pt+2 and a molecular weight of 828.23 g/mol. Its IUPAC name is butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium).

Molecular Properties

Compound Namebutan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)
PubChem CID6397135
Molecular FormulaC40H39ClOP2Pt+2
Molecular Weight828.23 g/mol
Exact Mass827.18
IUPAC Namebutan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)
SMILESCCC[C-]=O.Cl[Pt+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C4H7O.ClH.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5;;/h2*1-15H;2-3H2,1H3;1H;/q;;-1;;+2/p+1
InChIKeyDIVZEKBOPCSYOH-UHFFFAOYSA-O
XLogP7.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.23
LogP ≤ 57.94
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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Related Compounds

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CID 42622038
hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698
dioxopalladium;triphenylphosphanium
CID 174842290
formaldehyde;ruthenium;tris(triphenylphosphanium)
CID 22165433
tetrachloroosmium;bis(triphenylphosphanium)
CID 6389214
methanone;ruthenium(4+);triphenylphosphanium
CID 87465370
nitroxyl anion;trichlororhenium;bis(triphenylphosphanium)
CID 6396803

Frequently Asked Questions

What is the IUPAC name of butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)?
The IUPAC name of butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium) (CID 6397135) is butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium).
What is the SMILES notation for butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)?
The canonical SMILES for butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium) is CCC[C-]=O.Cl[Pt+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)?
The InChIKey is DIVZEKBOPCSYOH-UHFFFAOYSA-O. The full InChI is InChI=1S/2C18H15P.C4H7O.ClH.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5;;/h2*1-15H;2-3H2,1H3;1H;/q;;-1;;+2/p+1.
What are the key properties of butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)?
butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium) has a molecular weight of 828.23 g/mol, XLogP of 7.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium) is sourced from PubChem (CID 6397135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).