difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum

C28H20F2N2Pt2S2-2 — CID 58163102

IUPACdifluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum
SMILESCc1cc[c-]c(-c2nc3ccccc3s2)c1.Cc1cc[c-]c(-c2nc3ccccc3s2)c1.F[Pt]F.[Pt]
InChIInChI=1S/2C14H10NS.2FH.2Pt/c2*1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;;;;/h2*2-5,7-9H,1H3;2*1H;;/q2*-1;;;;+2/p-2
InChIKeyMSDSNZAUCFZFGR-UHFFFAOYSA-L
MW876.77 g/mol
LogP8.98
Rot. Bonds2

About difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum

difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum (PubChem CID 58163102) has the molecular formula C28H20F2N2Pt2S2-2 and a molecular weight of 876.77 g/mol. Its IUPAC name is difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum.

Molecular Properties

Compound Namedifluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum
PubChem CID58163102
Molecular FormulaC28H20F2N2Pt2S2-2
Molecular Weight876.77 g/mol
Exact Mass876.03
IUPAC Namedifluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum
SMILESCc1cc[c-]c(-c2nc3ccccc3s2)c1.Cc1cc[c-]c(-c2nc3ccccc3s2)c1.F[Pt]F.[Pt]
InChIInChI=1S/2C14H10NS.2FH.2Pt/c2*1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;;;;/h2*2-5,7-9H,1H3;2*1H;;/q2*-1;;;;+2/p-2
InChIKeyMSDSNZAUCFZFGR-UHFFFAOYSA-L
XLogP8.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.77
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium(3+);tris(2-phenyl-1,3-benzothiazole)
CID 58969594
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1,3-benzothiazole;2-(4-methylbenzene-6-id-1-yl)-1,3-benzothiazole;2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-(3H-naphthalen-3-id-2-yl)-1,3-benzothiazole;2-phenyl-1,3-benzothiazole
CID 158479930
iridium;2-phenylpyridine;2-pyridin-2-yl-1,3-benzothiazole
CID 58281788
2-(2-methylquinolin-3-yl)-1,3-benzothiazole
CID 163587218
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
5-(1,3-benzothiazol-2-yl)-2-methylaniline
CID 735970
5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 24711318
2-[2,6-bis(4-methylphenyl)phenyl]-1,3-benzothiazole
CID 102455086

Frequently Asked Questions

What is the IUPAC name of difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum?
The IUPAC name of difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum (CID 58163102) is difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum.
What is the SMILES notation for difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum?
The canonical SMILES for difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum is Cc1cc[c-]c(-c2nc3ccccc3s2)c1.Cc1cc[c-]c(-c2nc3ccccc3s2)c1.F[Pt]F.[Pt].
What is the InChIKey of difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum?
The InChIKey is MSDSNZAUCFZFGR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H10NS.2FH.2Pt/c2*1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;;;;/h2*2-5,7-9H,1H3;2*1H;;/q2*-1;;;;+2/p-2.
What are the key properties of difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum?
difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum has a molecular weight of 876.77 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoroplatinum;bis(2-(3-methylbenzene-6-id-1-yl)-1,3-benzothiazole);platinum is sourced from PubChem (CID 58163102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).