2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum

C25H13F8N2OPt- — CID 59342302

IUPAC2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum
SMILESOc1ccccc1Cc1cccc(-c2cccc(-c3[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1.[Pt]
InChIInChI=1S/C25H13F8N2O.Pt/c26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36;/h1-10,36H,11H2;/q-1;
InChIKeyJAGJYEZGILODRH-UHFFFAOYSA-N
MW704.45 g/mol
LogP7.22
Rot. Bonds4

About 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum

2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum (PubChem CID 59342302) has the molecular formula C25H13F8N2OPt- and a molecular weight of 704.45 g/mol. Its IUPAC name is 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum.

Molecular Properties

Compound Name2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum
PubChem CID59342302
Molecular FormulaC25H13F8N2OPt-
Molecular Weight704.45 g/mol
Exact Mass704.06
IUPAC Name2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum
SMILESOc1ccccc1Cc1cccc(-c2cccc(-c3[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1.[Pt]
InChIInChI=1S/C25H13F8N2O.Pt/c26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36;/h1-10,36H,11H2;/q-1;
InChIKeyJAGJYEZGILODRH-UHFFFAOYSA-N
XLogP7.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.45
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-[2,4-Difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum
CID 58004397
6,6'-Bis(2-hydroxy-3-fluorophenyl)-2,2'-bipyridine
CID 135456015
4-Fluoro-2-[6-[6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
CID 135484037
2-[[6-[6-(2,4-Difluorophenyl)-2-pyridinyl]-2-pyridinyl]methyl]phenol
CID 57806472
2-[[6-[6-[2,4-Difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol
CID 59342303
2-[6-[6-(2,4-Difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol
CID 135975773
3-Fluoro-2-[6-[6-(2-fluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
CID 136859819
5-Fluoro-2-[6-[6-(4-fluoro-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol
CID 136859820
2-[2-[6-(2,4-Difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]phenol;platinum
CID 57806364
2-[2-[6-(6-Phenyl-2-pyridinyl)-2-pyridinyl]propan-2-yl]phenol;platinum
CID 57806448
2-[[6-[6-(2,4-Difluorobenzene-6-id-1-yl)-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum
CID 57806471
Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]methyl]phenol
CID 57806493

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum?
The IUPAC name of 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum (CID 59342302) is 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum.
What is the SMILES notation for 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum?
The canonical SMILES for 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum is Oc1ccccc1Cc1cccc(-c2cccc(-c3[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1.[Pt].
What is the InChIKey of 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum?
The InChIKey is JAGJYEZGILODRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13F8N2O.Pt/c26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36;/h1-10,36H,11H2;/q-1;.
What are the key properties of 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum?
2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum has a molecular weight of 704.45 g/mol, XLogP of 7.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum is sourced from PubChem (CID 59342302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).