chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine

C25H21ClN2Pt — CID 57326725

IUPACchloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccn3)[c-]c(-c3ccccn3)c2)c(C)c1.Cl[Pt+]
InChIInChI=1S/C25H21N2.ClH.Pt/c1-17-12-18(2)25(19(3)13-17)22-15-20(23-8-4-6-10-26-23)14-21(16-22)24-9-5-7-11-27-24;;/h4-13,15-16H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyWAPIQSKKBSKPHD-UHFFFAOYSA-M
MW579.99 g/mol
LogP6.89
Rot. Bonds3

About chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine

chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine (PubChem CID 57326725) has the molecular formula C25H21ClN2Pt and a molecular weight of 579.99 g/mol. Its IUPAC name is chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine.

Molecular Properties

Compound Namechloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine
PubChem CID57326725
Molecular FormulaC25H21ClN2Pt
Molecular Weight579.99 g/mol
Exact Mass579.10
IUPAC Namechloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccn3)[c-]c(-c3ccccn3)c2)c(C)c1.Cl[Pt+]
InChIInChI=1S/C25H21N2.ClH.Pt/c1-17-12-18(2)25(19(3)13-17)22-15-20(23-8-4-6-10-26-23)14-21(16-22)24-9-5-7-11-27-24;;/h4-13,15-16H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyWAPIQSKKBSKPHD-UHFFFAOYSA-M
XLogP6.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.99
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine 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

chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
2-(4-methylphenyl)pyridine;silver
CID 121395993
2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;osmium(1+)
CID 164740241
bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 58637296
2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 134313361
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
CID 158478788
CID 158478788
4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 80521077
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine?
The IUPAC name of chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine (CID 57326725) is chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine.
What is the SMILES notation for chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine?
The canonical SMILES for chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccn3)[c-]c(-c3ccccn3)c2)c(C)c1.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine?
The InChIKey is WAPIQSKKBSKPHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H21N2.ClH.Pt/c1-17-12-18(2)25(19(3)13-17)22-15-20(23-8-4-6-10-26-23)14-21(16-22)24-9-5-7-11-27-24;;/h4-13,15-16H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine?
chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine has a molecular weight of 579.99 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine is sourced from PubChem (CID 57326725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).