platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone

C28H21F3N2OPt — CID 58004265

IUPACplatinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone
SMILESCc1[c-]c(-c2cccc(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)n2)cc(C(=O)C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/C28H21F3N2O.Pt/c1-18-14-20(16-21(15-18)26(34)28(29,30)31)24-11-7-10-23(33-24)19-8-6-9-22(17-19)27(2,3)25-12-4-5-13-32-25;/h4-13,15-16H,1-3H3;/q-2;+2
InChIKeyNMDHZVQYKYWIFY-UHFFFAOYSA-N
MW653.56 g/mol
LogP6.79
Rot. Bonds5

About platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone

platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone (PubChem CID 58004265) has the molecular formula C28H21F3N2OPt and a molecular weight of 653.56 g/mol. Its IUPAC name is platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone.

Molecular Properties

Compound Nameplatinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone
PubChem CID58004265
Molecular FormulaC28H21F3N2OPt
Molecular Weight653.56 g/mol
Exact Mass653.13
IUPAC Nameplatinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone
SMILESCc1[c-]c(-c2cccc(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)n2)cc(C(=O)C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/C28H21F3N2O.Pt/c1-18-14-20(16-21(15-18)26(34)28(29,30)31)24-11-7-10-23(33-24)19-8-6-9-22(17-19)27(2,3)25-12-4-5-13-32-25;/h4-13,15-16H,1-3H3;/q-2;+2
InChIKeyNMDHZVQYKYWIFY-UHFFFAOYSA-N
XLogP6.79
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.56
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone with MolForge

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Related Compounds

(2Z,6E)-4-tert-butyl-2,6-bis(pyridin-2-ylmethylene)cyclohexanone
CID 2059132
platinum(2+);2-(trifluoromethyl)-3-[6-[2-[6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide
CID 57615719
(Z)-4-hydroxypent-3-en-2-one;3-phenyl-2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum
CID 57872773
(Z)-4-hydroxypent-3-en-2-one;2-(2-phenylbenzene-6-id-1-yl)-3-(trifluoromethyl)pyridine;platinum
CID 57872960
2-[2-[2,4-Difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]-6-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
CID 58004241
(2,4-Difluorobenzene-6-id-1-yl)-[6-[2,4-difluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]methanone;platinum(2+)
CID 58004277
2-[2,4-Difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
CID 58004343
CID 58620882
CID 58620882
2,6-Bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;iridium;2-[2-[5-(2-phenylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine
CID 58663642
bis(10H-benzo[h]quinolin-10-ide);(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;iridium
CID 59116203
[2,4-Difluoro-5-(6-pyridin-2-yl-2-pyridinyl)-3-(trifluoromethyl)benzene-6-id-1-yl]-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]methanone;platinum(2+)
CID 59342235
bis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine);(Z)-4-hydroxypent-3-en-2-one;iridium
CID 60133636

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone?
The IUPAC name of platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone (CID 58004265) is platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone.
What is the SMILES notation for platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone?
The canonical SMILES for platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone is Cc1[c-]c(-c2cccc(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)n2)cc(C(=O)C(F)(F)F)c1.[Pt+2].
What is the InChIKey of platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone?
The InChIKey is NMDHZVQYKYWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N2O.Pt/c1-18-14-20(16-21(15-18)26(34)28(29,30)31)24-11-7-10-23(33-24)19-8-6-9-22(17-19)27(2,3)25-12-4-5-13-32-25;/h4-13,15-16H,1-3H3;/q-2;+2.
What are the key properties of platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone?
platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone has a molecular weight of 653.56 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2,2,2-trifluoro-1-[3-methyl-5-[6-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-2-pyridinyl]benzene-4-id-1-yl]ethanone is sourced from PubChem (CID 58004265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).