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

C32H21F6N2OPt- — CID 58620926

IUPAC2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
SMILESCc1cc(C(F)(F)F)c(-c2cc(Cc3ccccc3O)[c-]c(-c3cccc(-c4ccccn4)n3)c2)c(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C32H21F6N2O.Pt/c1-19-13-24(31(33,34)35)30(25(14-19)32(36,37)38)23-17-20(15-21-7-2-3-11-29(21)41)16-22(18-23)26-9-6-10-28(40-26)27-8-4-5-12-39-27;/h2-14,17-18,41H,15H2,1H3;/q-1;
InChIKeyWQNQBVSOXYKXGA-UHFFFAOYSA-N
MW758.60 g/mol
LogP8.92
Rot. Bonds5

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

2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum (PubChem CID 58620926) has the molecular formula C32H21F6N2OPt- and a molecular weight of 758.60 g/mol. Its IUPAC name is 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum.

Molecular Properties

Compound Name2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
PubChem CID58620926
Molecular FormulaC32H21F6N2OPt-
Molecular Weight758.60 g/mol
Exact Mass758.12
IUPAC Name2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
SMILESCc1cc(C(F)(F)F)c(-c2cc(Cc3ccccc3O)[c-]c(-c3cccc(-c4ccccn4)n3)c2)c(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C32H21F6N2O.Pt/c1-19-13-24(31(33,34)35)30(25(14-19)32(36,37)38)23-17-20(15-21-7-2-3-11-29(21)41)16-22(18-23)26-9-6-10-28(40-26)27-8-4-5-12-39-27;/h2-14,17-18,41H,15H2,1H3;/q-1;
InChIKeyWQNQBVSOXYKXGA-UHFFFAOYSA-N
XLogP8.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.60
LogP ≤ 58.92
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

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
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-[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
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-[[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
2-[6-Pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
CID 136740466
2-Phenylphenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 57539638

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum?
The IUPAC name of 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) is 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum.
What is the SMILES notation for 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum?
The canonical SMILES for 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum is Cc1cc(C(F)(F)F)c(-c2cc(Cc3ccccc3O)[c-]c(-c3cccc(-c4ccccn4)n3)c2)c(C(F)(F)F)c1.[Pt].
What is the InChIKey of 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum?
The InChIKey is WQNQBVSOXYKXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21F6N2O.Pt/c1-19-13-24(31(33,34)35)30(25(14-19)32(36,37)38)23-17-20(15-21-7-2-3-11-29(21)41)16-22(18-23)26-9-6-10-28(40-26)27-8-4-5-12-39-27;/h2-14,17-18,41H,15H2,1H3;/q-1;.
What are the key properties of 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum?
2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum has a molecular weight of 758.60 g/mol, XLogP of 8.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum is sourced from PubChem (CID 58620926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).