2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum

C121H117F8N6O6Pt3-3 — CID 162278878

IUPAC2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum
SMILESCC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1c[c-]c(-c2ccccn2)c(F)c1.Cc1c[c-]c(-c2ccccn2)c(F)c1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/3C27H29NO2.C15H15FN.C13H6F6N.C12H9FN.3Pt/c3*1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;1-15(2,3)11-7-8-12(13(16)10-11)14-6-4-5-9-17-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;;;/h2*4-13,15-16,18,26,29-30H,14,17H2,1-3H3;4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-7,9-10H,1-3H3;1-5,7H;2-5,7-8H,1H3;;;/q;;;3*-1;;;
InChIKeyVVSKOPOTKGAJFE-UHFFFAOYSA-N
MW2488.52 g/mol
LogP31.26
Rot. Bonds18

About 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum (PubChem CID 162278878) has the molecular formula C121H117F8N6O6Pt3-3 and a molecular weight of 2488.52 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum
PubChem CID162278878
Molecular FormulaC121H117F8N6O6Pt3-3
Molecular Weight2488.52 g/mol
Exact Mass2486.79
IUPAC Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum
SMILESCC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1c[c-]c(-c2ccccn2)c(F)c1.Cc1c[c-]c(-c2ccccn2)c(F)c1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/3C27H29NO2.C15H15FN.C13H6F6N.C12H9FN.3Pt/c3*1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;1-15(2,3)11-7-8-12(13(16)10-11)14-6-4-5-9-17-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;;;/h2*4-13,15-16,18,26,29-30H,14,17H2,1-3H3;4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-7,9-10H,1-3H3;1-5,7H;2-5,7-8H,1H3;;;/q;;;3*-1;;;
InChIKeyVVSKOPOTKGAJFE-UHFFFAOYSA-N
XLogP31.26
TPSA174.84 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002488.52
LogP ≤ 531.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum with MolForge

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Related Compounds

iridium;3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;pentane-2,4-diol;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide
CID 58299274
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum
CID 59449557
iridium;pentane-2,4-diol;9-phenyl-4H-carbazol-4-ide;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;3-(trifluoromethyl)pyridine
CID 59449566
1-(4-Carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 59449589
iridium;pentane-2,4-diol;bis(9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide)
CID 59449600
9-[2-[2-[3-[2-[2-Carbazol-9-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;iridium(3+)
CID 153319951
Iridium(3+);3-phenyl-9-[2-[2-[3-[2-[2-(3-phenylcarbazol-9-yl)-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-4-id-1-yl]carbazole
CID 153319955
4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 157245400
1-(4-fluorophenyl)-2-(oxan-4-yl)-3-pyridin-4-yl-5H-pyrrolo[3,4-f]indole;bis(2,2,2-trifluoro-1-[4-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]ethanol)
CID 157617808
5,5-Dimethylhexane-2,4-diol;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol;heptane-3,5-diol;pentakis(iridium);pentakis(2-phenyl-3-phenylpyrazine);2,2,6,6-tetramethylheptane-3,5-diol;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 157753995
2-[[1-Butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;2-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol
CID 157860416
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;decakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;(4S)-pent-2-ene-2,4-diol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
CID 159089072

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum (CID 162278878) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum is CC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1c[c-]c(-c2ccccn2)c(F)c1.Cc1c[c-]c(-c2ccccn2)c(F)c1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum?
The InChIKey is VVSKOPOTKGAJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H29NO2.C15H15FN.C13H6F6N.C12H9FN.3Pt/c3*1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;1-15(2,3)11-7-8-12(13(16)10-11)14-6-4-5-9-17-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;;;/h2*4-13,15-16,18,26,29-30H,14,17H2,1-3H3;4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-7,9-10H,1-3H3;1-5,7H;2-5,7-8H,1H3;;;/q;;;3*-1;;;.
What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum?
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum has a molecular weight of 2488.52 g/mol, XLogP of 31.26, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;bis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum is sourced from PubChem (CID 162278878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).