chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)

C44H42ClNP2Pt+2 — CID 6397321

IUPACchloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)
SMILESCN(C)c1[c-]cccc1.Cl[Pt+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C8H10N.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;1-9(2)8-6-4-3-5-7-8;;/h2*1-15H;3-6H,1-2H3;1H;/q;;-1;;+2/p+1
InChIKeyKXDYCNSTXDKDGH-UHFFFAOYSA-O
MW877.31 g/mol
LogP8.59
Rot. Bonds7

About chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)

chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium) (PubChem CID 6397321) has the molecular formula C44H42ClNP2Pt+2 and a molecular weight of 877.31 g/mol. Its IUPAC name is chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium).

Molecular Properties

Compound Namechloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)
PubChem CID6397321
Molecular FormulaC44H42ClNP2Pt+2
Molecular Weight877.31 g/mol
Exact Mass876.21
IUPAC Namechloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)
SMILESCN(C)c1[c-]cccc1.Cl[Pt+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C8H10N.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;1-9(2)8-6-4-3-5-7-8;;/h2*1-15H;3-6H,1-2H3;1H;/q;;-1;;+2/p+1
InChIKeyKXDYCNSTXDKDGH-UHFFFAOYSA-O
XLogP8.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.31
LogP ≤ 58.59
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'}

Analyze chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-phenylaniline;yttrium
CID 59953259
hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698
dichloroplatinum;triphenylphosphanium
CID 88797109
tetrachloroosmium;bis(triphenylphosphanium)
CID 6389214
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965
carbanide;nickel;triphenylphosphanium
CID 87436309
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
carbanide;dichlororuthenium;triphenylphosphanium
CID 59680687
gold(1+);methylbenzene;triphenylphosphanium
CID 127264320

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)?
The IUPAC name of chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium) (CID 6397321) is chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium).
What is the SMILES notation for chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)?
The canonical SMILES for chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium) is CN(C)c1[c-]cccc1.Cl[Pt+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)?
The InChIKey is KXDYCNSTXDKDGH-UHFFFAOYSA-O. The full InChI is InChI=1S/2C18H15P.C8H10N.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;1-9(2)8-6-4-3-5-7-8;;/h2*1-15H;3-6H,1-2H3;1H;/q;;-1;;+2/p+1.
What are the key properties of chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium)?
chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium) has a molecular weight of 877.31 g/mol, XLogP of 8.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);N,N-dimethylaniline;bis(triphenylphosphanium) is sourced from PubChem (CID 6397321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).