2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine

C134H112F7Ir8N11O-8 — CID 159232514

IUPAC2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2cc(F)ccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc4ccc(C)cc4c3c2)c(C)c1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C30H23FN3.C25H21N2O.C19H24N.C15H16N.C12H7F3N.C11H6F2N.C11H7FN.C11H8N.8Ir/c1-19-15-20(2)29(21(3)16-19)33-14-13-32-30(33)22-9-11-27-25(17-22)26-18-23(31)10-12-28(26)34(27)24-7-5-4-6-8-24;1-15-5-7-22-20(13-15)21-14-19(6-8-23(21)28-22)25-26-9-10-27(25)24-17(3)11-16(2)12-18(24)4;1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h4-8,10-18H,1-3H3;5,7-14H,1-4H3;8-9,11-14,16H,2-7,10H2,1H3;4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;;;;;;;;/q8*-1;;;;;;;;
InChIKeyNPCJZOPTXMAQHV-UHFFFAOYSA-N
MW3563.17 g/mol
LogP34.88
Rot. Bonds18

About 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine

2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine (PubChem CID 159232514) has the molecular formula C134H112F7Ir8N11O-8 and a molecular weight of 3563.17 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
PubChem CID159232514
Molecular FormulaC134H112F7Ir8N11O-8
Molecular Weight3563.17 g/mol
Exact Mass3567.60
IUPAC Name2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2cc(F)ccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc4ccc(C)cc4c3c2)c(C)c1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C30H23FN3.C25H21N2O.C19H24N.C15H16N.C12H7F3N.C11H6F2N.C11H7FN.C11H8N.8Ir/c1-19-15-20(2)29(21(3)16-19)33-14-13-32-30(33)22-9-11-27-25(17-22)26-18-23(31)10-12-28(26)34(27)24-7-5-4-6-8-24;1-15-5-7-22-20(13-15)21-14-19(6-8-23(21)28-22)25-26-9-10-27(25)24-17(3)11-16(2)12-18(24)4;1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h4-8,10-18H,1-3H3;5,7-14H,1-4H3;8-9,11-14,16H,2-7,10H2,1H3;4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;;;;;;;;/q8*-1;;;;;;;;
InChIKeyNPCJZOPTXMAQHV-UHFFFAOYSA-N
XLogP34.88
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003563.17
LogP ≤ 534.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658298
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156658655
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658793
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156659082
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156660200
2-(3-tert-butylpyrazol-1-id-5-yl)-1-methylpyridin-1-ium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tetrakis(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 157083711
pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157104085
3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane
CID 157133461
2-(3-tert-butylpyrazol-1-id-5-yl)-1-methylpyridin-1-ium;tris(6-(2H-dibenzofuran-2-id-3-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium
CID 157398628
CID 157442309
CID 157442309
1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157463071
CID 157468187
CID 157468187

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine (CID 159232514) is 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine is CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2cc(F)ccc2n3-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc4ccc(C)cc4c3c2)c(C)c1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?
The InChIKey is NPCJZOPTXMAQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN3.C25H21N2O.C19H24N.C15H16N.C12H7F3N.C11H6F2N.C11H7FN.C11H8N.8Ir/c1-19-15-20(2)29(21(3)16-19)33-14-13-32-30(33)22-9-11-27-25(17-22)26-18-23(31)10-12-28(26)34(27)24-7-5-4-6-8-24;1-15-5-7-22-20(13-15)21-14-19(6-8-23(21)28-22)25-26-9-10-27(25)24-17(3)11-16(2)12-18(24)4;1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h4-8,10-18H,1-3H3;5,7-14H,1-4H3;8-9,11-14,16H,2-7,10H2,1H3;4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;;;;;;;;/q8*-1;;;;;;;;.
What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine has a molecular weight of 3563.17 g/mol, XLogP of 34.88, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159232514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).