2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)

C27H14F10N2Pt — CID 58004241

IUPAC2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
SMILESCC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1[c-]c(-c2ccccn2)c(F)c(C(F)(F)F)c1F.[Pt+2]
InChIInChI=1S/C27H14F10N2.Pt/c1-25(2,15-12-14(17-6-3-4-11-38-17)23(30)21(24(15)31)27(35,36)37)19-8-5-7-18(39-19)13-9-10-16(28)20(22(13)29)26(32,33)34;/h3-8,10-11H,1-2H3;/q-2;+2
InChIKeyUOXSQWYGADBRKV-UHFFFAOYSA-N
MW751.48 g/mol
LogP8.33
Rot. Bonds4

About 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)

2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) (PubChem CID 58004241) has the molecular formula C27H14F10N2Pt and a molecular weight of 751.48 g/mol. Its IUPAC name is 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
PubChem CID58004241
Molecular FormulaC27H14F10N2Pt
Molecular Weight751.48 g/mol
Exact Mass751.06
IUPAC Name2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
SMILESCC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1[c-]c(-c2ccccn2)c(F)c(C(F)(F)F)c1F.[Pt+2]
InChIInChI=1S/C27H14F10N2.Pt/c1-25(2,15-12-14(17-6-3-4-11-38-17)23(30)21(24(15)31)27(35,36)37)19-8-5-7-18(39-19)13-9-10-16(28)20(22(13)29)26(32,33)34;/h3-8,10-11H,1-2H3;/q-2;+2
InChIKeyUOXSQWYGADBRKV-UHFFFAOYSA-N
XLogP8.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.48
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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11',13'-Difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]
CID 139172657
3-(4-Fluorophenyl)-1-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydroindolizine
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Chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
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CID 23528036
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CID 49844040
Tris(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+)
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2-(4-Fluorobenzene-6-id-1-yl)pyridine;iridium(3+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;cyanide
CID 57573091
Chloroiridium(2+);2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 57573096
Chloroiridium(2+);2-(4-fluorobenzene-6-id-1-yl)pyridine;2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
CID 57573103

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?
The IUPAC name of 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) (CID 58004241) is 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+).
What is the SMILES notation for 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?
The canonical SMILES for 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) is CC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1[c-]c(-c2ccccn2)c(F)c(C(F)(F)F)c1F.[Pt+2].
What is the InChIKey of 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?
The InChIKey is UOXSQWYGADBRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F10N2.Pt/c1-25(2,15-12-14(17-6-3-4-11-38-17)23(30)21(24(15)31)27(35,36)37)19-8-5-7-18(39-19)13-9-10-16(28)20(22(13)29)26(32,33)34;/h3-8,10-11H,1-2H3;/q-2;+2.
What are the key properties of 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?
2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) has a molecular weight of 751.48 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58004241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).