platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol

C23H22F3N2OPt- — CID 59342241

IUPACplatinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(C)(C)c2cccc(-c3[c-]ccc(C(F)(F)F)c3)n2)n1.[Pt]
InChIInChI=1S/C23H22F3N2O.Pt/c1-21(2,19-12-7-13-20(28-19)22(3,4)29)18-11-6-10-17(27-18)15-8-5-9-16(14-15)23(24,25)26;/h5-7,9-14,29H,1-4H3;/q-1;
InChIKeyMGONHMABULQCFT-UHFFFAOYSA-N
MW594.51 g/mol
LogP5.51
Rot. Bonds4

About platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol

platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol (PubChem CID 59342241) has the molecular formula C23H22F3N2OPt- and a molecular weight of 594.51 g/mol. Its IUPAC name is platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Nameplatinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
PubChem CID59342241
Molecular FormulaC23H22F3N2OPt-
Molecular Weight594.51 g/mol
Exact Mass594.13
IUPAC Nameplatinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(C)(C)c2cccc(-c3[c-]ccc(C(F)(F)F)c3)n2)n1.[Pt]
InChIInChI=1S/C23H22F3N2O.Pt/c1-21(2,19-12-7-13-20(28-19)22(3,4)29)18-11-6-10-17(27-18)15-8-5-9-16(14-15)23(24,25)26;/h5-7,9-14,29H,1-4H3;/q-1;
InChIKeyMGONHMABULQCFT-UHFFFAOYSA-N
XLogP5.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.51
LogP ≤ 55.51
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-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;platinum
CID 59399095
platinum;6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59399423
6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
CID 59399483
(2,4-Difluorobenzene-6-id-1-yl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol;platinum(2+)
CID 59645701
1-[15-(Fluoromethyl)-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-12(17),13,15-trien-11-yl]-2-phenylpropan-2-ol
CID 71277088
6-[2-[6-[2,4-Difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
CID 91865240
2-[6-[2-[6-[3-(Trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
CID 59342242
1-[6-[2-[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]cyclohexan-1-ol
CID 59399081
2-[6-[2-[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59399096
1-[6-[2-[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol
CID 59399110
2-[6-[2-[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
CID 59399184
(Z)-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-phenylethenol
CID 59399213

Frequently Asked Questions

What is the IUPAC name of platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol (CID 59342241) is platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(C(C)(C)c2cccc(-c3[c-]ccc(C(F)(F)F)c3)n2)n1.[Pt].
What is the InChIKey of platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is MGONHMABULQCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N2O.Pt/c1-21(2,19-12-7-13-20(28-19)22(3,4)29)18-11-6-10-17(27-18)15-8-5-9-16(14-15)23(24,25)26;/h5-7,9-14,29H,1-4H3;/q-1;.
What are the key properties of platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 594.51 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2-[6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 59342241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).