(2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)

C25H9F9N2OPt — CID 58004277

IUPAC(2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)
SMILESO=C(c1cccc(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)C(F)(F)F)c2F)n1)c1[c-]cc(F)cc1F.[Pt+2]
InChIInChI=1S/C25H9F9N2O.Pt/c26-12-7-8-13(16(27)10-12)23(37)19-6-3-5-18(36-19)15-11-14(17-4-1-2-9-35-17)21(28)20(22(15)29)24(30,31)25(32,33)34;/h1-7,9-10H;/q-2;+2
InChIKeyHHBFXXFYCQLXAB-UHFFFAOYSA-N
MW719.42 g/mol
LogP6.85
Rot. Bonds5

About (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)

(2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+) (PubChem CID 58004277) has the molecular formula C25H9F9N2OPt and a molecular weight of 719.42 g/mol. Its IUPAC name is (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+).

Molecular Properties

Compound Name(2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)
PubChem CID58004277
Molecular FormulaC25H9F9N2OPt
Molecular Weight719.42 g/mol
Exact Mass719.02
IUPAC Name(2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)
SMILESO=C(c1cccc(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)C(F)(F)F)c2F)n1)c1[c-]cc(F)cc1F.[Pt+2]
InChIInChI=1S/C25H9F9N2O.Pt/c26-12-7-8-13(16(27)10-12)23(37)19-6-3-5-18(36-19)15-11-14(17-4-1-2-9-35-17)21(28)20(22(15)29)24(30,31)25(32,33)34;/h1-7,9-10H;/q-2;+2
InChIKeyHHBFXXFYCQLXAB-UHFFFAOYSA-N
XLogP6.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.42
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+) with MolForge

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Related Compounds

2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide
CID 20807189
Iridium;phenyl(pyrrol-1-id-2-yl)methanone;2-phenyl-5-(trifluoromethyl)pyridine
CID 57894346
Platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone
CID 58004265
CID 59342153
CID 59342153
[2,4-Difluoro-5-(6-pyridin-2-yl-2-pyridinyl)-3-(trifluoromethyl)benzene-6-id-1-yl]-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]methanone;platinum(2+)
CID 59342235
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;1-[4-(trifluoromethyl)pyrrol-1-id-2-yl]ethanone
CID 59431390
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;1-[4-(trifluoromethyl)pyrrol-1-id-2-yl]ethanone
CID 59431401
Iridium;2-phenylpyridine;2,2,2-trifluoro-1-[4-(trifluoromethyl)pyrrol-1-id-2-yl]ethanone
CID 59431405
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;1-pyrrol-1-id-2-ylethanone
CID 59431415
1-(6-Methyl-2-pyridinyl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one
CID 68770558
1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone
CID 155359405
1-(5-Fluoro-2-pyridinyl)-2-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]ethanone
CID 159053603

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)?
The IUPAC name of (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+) (CID 58004277) is (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+).
What is the SMILES notation for (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)?
The canonical SMILES for (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+) is O=C(c1cccc(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)C(F)(F)F)c2F)n1)c1[c-]cc(F)cc1F.[Pt+2].
What is the InChIKey of (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)?
The InChIKey is HHBFXXFYCQLXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H9F9N2O.Pt/c26-12-7-8-13(16(27)10-12)23(37)19-6-3-5-18(36-19)15-11-14(17-4-1-2-9-35-17)21(28)20(22(15)29)24(30,31)25(32,33)34;/h1-7,9-10H;/q-2;+2.
What are the key properties of (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)?
(2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+) has a molecular weight of 719.42 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+) is sourced from PubChem (CID 58004277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).