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

C27H14F10N2Pt — CID 59342215

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

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

2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 59342215) has the molecular formula C27H14F10N2Pt and a molecular weight of 751.48 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
PubChem CID59342215
Molecular FormulaC27H14F10N2Pt
Molecular Weight751.48 g/mol
Exact Mass751.06
IUPAC Name2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
SMILESCC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1.[Pt+2]
InChIInChI=1S/C27H14F10N2.Pt/c1-25(2,19-7-3-5-17(38-19)13-9-11-15(28)21(23(13)30)26(32,33)34)20-8-4-6-18(39-20)14-10-12-16(29)22(24(14)31)27(35,36)37;/h3-8,11-12H,1-2H3;/q-2;+2
InChIKeyHKWDLKCQWKNBHH-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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The IUPAC name of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 59342215) is 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).
What is the SMILES notation for 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The canonical SMILES for 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is CC(C)(c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1)c1cccc(-c2[c-]cc(F)c(C(F)(F)F)c2F)n1.[Pt+2].
What is the InChIKey of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
The InChIKey is HKWDLKCQWKNBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F10N2.Pt/c1-25(2,19-7-3-5-17(38-19)13-9-11-15(28)21(23(13)30)26(32,33)34)20-8-4-6-18(39-20)14-10-12-16(29)22(24(14)31)27(35,36)37;/h3-8,11-12H,1-2H3;/q-2;+2.
What are the key properties of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?
2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-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-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 59342215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).