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

C32H18F9N2OPt- — CID 58004339

IUPACplatinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
SMILESOc1ccccc1Cc1[c-]c(-c2cccc(-c3ccccn3)n2)cc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1.[Pt]
InChIInChI=1S/C32H18F9N2O.Pt/c33-30(34,35)22-16-23(31(36,37)38)29(24(17-22)32(39,40)41)21-14-18(12-19-6-1-2-10-28(19)44)13-20(15-21)25-8-5-9-27(43-25)26-7-3-4-11-42-26;/h1-11,14-17,44H,12H2;/q-1;
InChIKeyYTWHBTACZGLTJO-UHFFFAOYSA-N
MW812.57 g/mol
LogP9.63
Rot. Bonds5

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

platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol (PubChem CID 58004339) has the molecular formula C32H18F9N2OPt- and a molecular weight of 812.57 g/mol. Its IUPAC name is platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol.

Molecular Properties

Compound Nameplatinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
PubChem CID58004339
Molecular FormulaC32H18F9N2OPt-
Molecular Weight812.57 g/mol
Exact Mass812.09
IUPAC Nameplatinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
SMILESOc1ccccc1Cc1[c-]c(-c2cccc(-c3ccccn3)n2)cc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1.[Pt]
InChIInChI=1S/C32H18F9N2O.Pt/c33-30(34,35)22-16-23(31(36,37)38)29(24(17-22)32(39,40)41)21-14-18(12-19-6-1-2-10-28(19)44)13-20(15-21)25-8-5-9-27(43-25)26-7-3-4-11-42-26;/h1-11,14-17,44H,12H2;/q-1;
InChIKeyYTWHBTACZGLTJO-UHFFFAOYSA-N
XLogP9.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.57
LogP ≤ 59.63
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
4-Methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol
CID 58401771
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
CID 58620926
2-[7-(2,3,4,5,6-Pentafluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
CID 146591716
Fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 159258322
2-[4-(3-Fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenol
CID 174768204
2-[4-[3-[6-(Trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol
CID 174768206
15-[3-Tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-8,8-difluoro-10-(4-trimethylgermylphenyl)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-3-ol;platinum
CID 176607088
2-[[3-(6-Pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]methyl]phenol
CID 58004340
2-[[6-[2,4-Difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol
CID 58004398
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]phenol
CID 58620927
2-[2-[3-Fluoro-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]propan-2-yl]phenol
CID 59342047

Frequently Asked Questions

What is the IUPAC name of platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol?
The IUPAC name of platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol (CID 58004339) is platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol.
What is the SMILES notation for platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol?
The canonical SMILES for platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol is Oc1ccccc1Cc1[c-]c(-c2cccc(-c3ccccn3)n2)cc(-c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c1.[Pt].
What is the InChIKey of platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol?
The InChIKey is YTWHBTACZGLTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F9N2O.Pt/c33-30(34,35)22-16-23(31(36,37)38)29(24(17-22)32(39,40)41)21-14-18(12-19-6-1-2-10-28(19)44)13-20(15-21)25-8-5-9-27(43-25)26-7-3-4-11-42-26;/h1-11,14-17,44H,12H2;/q-1;.
What are the key properties of platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol?
platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol has a molecular weight of 812.57 g/mol, XLogP of 9.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol is sourced from PubChem (CID 58004339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).