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

C241H237F11N12O12Pt6-6 — CID 162278882

IUPAC2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.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)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.CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)c(F)c1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/6C27H29NO2.C15H15FN.C15H16N.C13H6F6N.C12H7F3N.C12H9FN.C12H10N.6Pt/c6*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;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;;;;;;/h4*4-13,15-16,18,26,29-30H,14,17H2,1-3H3;2*4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-7,9-10H,1-3H3;4-7,9-11H,1-3H3;1-5,7H;1-4,6-8H;2-5,7-8H,1H3;2-7,9H,1H3;;;;;;/q;;;;;;6*-1;;;;;;
InChIKeyOUQQJVFPYOXXGM-UHFFFAOYSA-N
MW4873.06 g/mol
LogP61.22
Rot. Bonds36

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

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 162278882) has the molecular formula C241H237F11N12O12Pt6-6 and a molecular weight of 4873.06 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID162278882
Molecular FormulaC241H237F11N12O12Pt6-6
Molecular Weight4873.06 g/mol
Exact Mass4869.60
IUPAC Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.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)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.CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)c(F)c1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/6C27H29NO2.C15H15FN.C15H16N.C13H6F6N.C12H7F3N.C12H9FN.C12H10N.6Pt/c6*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;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;;;;;;/h4*4-13,15-16,18,26,29-30H,14,17H2,1-3H3;2*4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-7,9-10H,1-3H3;4-7,9-11H,1-3H3;1-5,7H;1-4,6-8H;2-5,7-8H,1H3;2-7,9H,1H3;;;;;;/q;;;;;;6*-1;;;;;;
InChIKeyOUQQJVFPYOXXGM-UHFFFAOYSA-N
XLogP61.22
TPSA349.68 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms282
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004873.06
LogP ≤ 561.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 162278882) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.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)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.CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)c(F)c1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is OUQQJVFPYOXXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/6C27H29NO2.C15H15FN.C15H16N.C13H6F6N.C12H7F3N.C12H9FN.C12H10N.6Pt/c6*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;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;;;;;;/h4*4-13,15-16,18,26,29-30H,14,17H2,1-3H3;2*4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-7,9-10H,1-3H3;4-7,9-11H,1-3H3;1-5,7H;1-4,6-8H;2-5,7-8H,1H3;2-7,9H,1H3;;;;;;/q;;;;;;6*-1;;;;;;.
What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 4873.06 g/mol, XLogP of 61.22, 36 rotatable bonds, 12 hydrogen bond donors, and 24 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-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tetrakis(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 162278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).