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

C33H18F10N2Pt — CID 58004401

IUPAC2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+)
SMILESCC(C)(c1cccc(-c2cccc(-c3[c-]c(-c4[c-]cc(F)c(C(F)(F)F)c4F)c(F)c(C(F)(F)F)c3F)n2)c1)c1ccccn1.[Pt+2]
InChIInChI=1S/C33H18F10N2.Pt/c1-31(2,25-11-3-4-14-44-25)18-8-5-7-17(15-18)23-9-6-10-24(45-23)21-16-20(29(36)27(30(21)37)33(41,42)43)19-12-13-22(34)26(28(19)35)32(38,39)40;/h3-11,13-15H,1-2H3;/q-2;+2
InChIKeyFBLJDGXFVZLTMY-UHFFFAOYSA-N
MW827.58 g/mol
LogP10.00
Rot. Bonds5

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

2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+) (PubChem CID 58004401) has the molecular formula C33H18F10N2Pt and a molecular weight of 827.58 g/mol. Its IUPAC name is 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+)
PubChem CID58004401
Molecular FormulaC33H18F10N2Pt
Molecular Weight827.58 g/mol
Exact Mass827.10
IUPAC Name2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+)
SMILESCC(C)(c1cccc(-c2cccc(-c3[c-]c(-c4[c-]cc(F)c(C(F)(F)F)c4F)c(F)c(C(F)(F)F)c3F)n2)c1)c1ccccn1.[Pt+2]
InChIInChI=1S/C33H18F10N2.Pt/c1-31(2,25-11-3-4-14-44-25)18-8-5-7-17(15-18)23-9-6-10-24(45-23)21-16-20(29(36)27(30(21)37)33(41,42)43)19-12-13-22(34)26(28(19)35)32(38,39)40;/h3-11,13-15H,1-2H3;/q-2;+2
InChIKeyFBLJDGXFVZLTMY-UHFFFAOYSA-N
XLogP10.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.58
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+) with MolForge

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Related Compounds

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5-((4-Methylpyridin-3-yl)methyl)-2-phenylpyridine
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5-((5-Methylpyridin-3-yl)methyl)-2-phenylpyridine
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3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
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2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
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2-(2-Fluorophenyl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
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2-methyl-5-(2-(pyridin-3-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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CID 59546880
7-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]
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5-fluoro-1-methyl-1'-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]
CID 97521792
1-Fluoro-3,5-di(2-pyridyl)benzene
CID 21024813

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+)?
The IUPAC name of 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+) (CID 58004401) is 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+).
What is the SMILES notation for 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+)?
The canonical SMILES for 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+) is CC(C)(c1cccc(-c2cccc(-c3[c-]c(-c4[c-]cc(F)c(C(F)(F)F)c4F)c(F)c(C(F)(F)F)c3F)n2)c1)c1ccccn1.[Pt+2].
What is the InChIKey of 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+)?
The InChIKey is FBLJDGXFVZLTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18F10N2.Pt/c1-31(2,25-11-3-4-14-44-25)18-8-5-7-17(15-18)23-9-6-10-24(45-23)21-16-20(29(36)27(30(21)37)33(41,42)43)19-12-13-22(34)26(28(19)35)32(38,39)40;/h3-11,13-15H,1-2H3;/q-2;+2.
What are the key properties of 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+)?
2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+) has a molecular weight of 827.58 g/mol, XLogP of 10.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+) is sourced from PubChem (CID 58004401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).