2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole

C339H276Ir6N20OS — CID 157495371

IUPAC2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole
SMILESCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4c5ccccc5n(C)c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4cc(C)ccc4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4oc5ccccc5c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4sc5ccccc5c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-n3c4ccccc4c4ccccc43)c2)nc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C28H24N.C26H21N2.C25H19N2.C25H18NO.C25H18NS.C24H20N.6C18H14N.6C13H12N.6Ir/c1-18-9-14-27(29-17-18)21-11-10-19(2)24(15-21)20-12-13-23-22-7-5-6-8-25(22)28(3,4)26(23)16-20;1-17-8-13-24(27-16-17)20-10-9-18(2)23(14-20)19-11-12-22-21-6-4-5-7-25(21)28(3)26(22)15-19;1-17-11-14-22(26-16-17)19-13-12-18(2)25(15-19)27-23-9-5-3-7-20(23)21-8-4-6-10-24(21)27;2*1-16-7-11-23(26-15-16)19-9-8-17(2)21(14-19)18-10-12-25-22(13-18)20-5-3-4-6-24(20)27-25;1-16-4-7-20-13-21(10-9-19(20)12-16)23-14-22(8-6-18(23)3)24-11-5-17(2)15-25-24;6*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;6*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;;/h5-10,12-17H,1-4H3;4-9,11-16H,1-3H3;3-12,14-16H,1-2H3;2*3-8,10-15H,1-2H3;4-7,9-15H,1-3H3;6*2-5,7-13H,1H3;6*3-6,8-9H,1-2H3;;;;;;/q18*-1;6*+3/i5*1D3;2D3;;;;;;;6*1D3;;;;;;
InChIKeyKJDHXPHXBQOKLH-QIXWUDNHSA-N
MW5867.66 g/mol
LogP86.23
Rot. Bonds42

About 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole

2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole (PubChem CID 157495371) has the molecular formula C339H276Ir6N20OS and a molecular weight of 5867.66 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole
PubChem CID157495371
Molecular FormulaC339H276Ir6N20OS
Molecular Weight5867.66 g/mol
Exact Mass5868.19
IUPAC Name2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole
SMILESCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4c5ccccc5n(C)c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4cc(C)ccc4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4oc5ccccc5c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4sc5ccccc5c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-n3c4ccccc4c4ccccc43)c2)nc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C28H24N.C26H21N2.C25H19N2.C25H18NO.C25H18NS.C24H20N.6C18H14N.6C13H12N.6Ir/c1-18-9-14-27(29-17-18)21-11-10-19(2)24(15-21)20-12-13-23-22-7-5-6-8-25(22)28(3,4)26(23)16-20;1-17-8-13-24(27-16-17)20-10-9-18(2)23(14-20)19-11-12-22-21-6-4-5-7-25(21)28(3)26(22)15-19;1-17-11-14-22(26-16-17)19-13-12-18(2)25(15-19)27-23-9-5-3-7-20(23)21-8-4-6-10-24(21)27;2*1-16-7-11-23(26-15-16)19-9-8-17(2)21(14-19)18-10-12-25-22(13-18)20-5-3-4-6-24(20)27-25;1-16-4-7-20-13-21(10-9-19(20)12-16)23-14-22(8-6-18(23)3)24-11-5-17(2)15-25-24;6*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;6*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;;/h5-10,12-17H,1-4H3;4-9,11-16H,1-3H3;3-12,14-16H,1-2H3;2*3-8,10-15H,1-2H3;4-7,9-15H,1-3H3;6*2-5,7-13H,1H3;6*3-6,8-9H,1-2H3;;;;;;/q18*-1;6*+3/i5*1D3;2D3;;;;;;;6*1D3;;;;;;
InChIKeyKJDHXPHXBQOKLH-QIXWUDNHSA-N
XLogP86.23
TPSA255.02 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms367
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005867.66
LogP ≤ 586.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole with MolForge

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Related Compounds

CID 157225149
CID 157225149
15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
1-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;1-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-1-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-1-yl)phosphoryl]dibenzothiophene;2-[1,10-phenanthrolin-2-yl(triphenylen-1-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-1-ylphosphoryl]carbazole;2-pyridin-2-yl-6-[(2-pyridin-2-yl-4-pyridinyl)-triphenylen-1-ylphosphoryl]pyridine;2-[pyridin-2-yl(triphenylen-1-yl)phosphoryl]pyridine
CID 157288269
2-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;2-bis(4-fluorophenyl)phosphoryltriphenylene;2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-2-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-2-yl)phosphoryl]dibenzothiophene;diphenyl-sulfanylidene-triphenylen-2-yl-lambda5-phosphane;2-[1,10-phenanthrolin-2-yl(triphenylen-2-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-2-ylphosphoryl]carbazole
CID 157683743
CID 158692160
CID 158692160
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
CID 159039278
CID 159961606
CID 159961606
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
4-(1,1-Didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160768550
9-[5-(4-Tert-butyl-2-pyridinyl)-2-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-carbazol-9-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-4-id-1-yl]carbazole;2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-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]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;bis(iridium(3+))
CID 161274929
4-(9,9-Dimethyl-3-pentylfluoren-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[3-(2-ethylhexyl)-1-benzofuran-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[3-(2-ethylhexyl)-1-benzothiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylpyren-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161603802
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole?
The IUPAC name of 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole (CID 157495371) is 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole.
What is the SMILES notation for 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole?
The canonical SMILES for 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole is Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4c5ccccc5n(C)c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4cc(C)ccc4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4oc5ccccc5c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-c3ccc4sc5ccccc5c4c3)c2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(C)c(-n3c4ccccc4c4ccccc43)c2)nc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole?
The InChIKey is KJDHXPHXBQOKLH-QIXWUDNHSA-N. The full InChI is InChI=1S/C28H24N.C26H21N2.C25H19N2.C25H18NO.C25H18NS.C24H20N.6C18H14N.6C13H12N.6Ir/c1-18-9-14-27(29-17-18)21-11-10-19(2)24(15-21)20-12-13-23-22-7-5-6-8-25(22)28(3,4)26(23)16-20;1-17-8-13-24(27-16-17)20-10-9-18(2)23(14-20)19-11-12-22-21-6-4-5-7-25(21)28(3)26(22)15-19;1-17-11-14-22(26-16-17)19-13-12-18(2)25(15-19)27-23-9-5-3-7-20(23)21-8-4-6-10-24(21)27;2*1-16-7-11-23(26-15-16)19-9-8-17(2)21(14-19)18-10-12-25-22(13-18)20-5-3-4-6-24(20)27-25;1-16-4-7-20-13-21(10-9-19(20)12-16)23-14-22(8-6-18(23)3)24-11-5-17(2)15-25-24;6*1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;6*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;;/h5-10,12-17H,1-4H3;4-9,11-16H,1-3H3;3-12,14-16H,1-2H3;2*3-8,10-15H,1-2H3;4-7,9-15H,1-3H3;6*2-5,7-13H,1H3;6*3-6,8-9H,1-2H3;;;;;;/q18*-1;6*+3/i5*1D3;2D3;;;;;;;6*1D3;;;;;;.
What are the key properties of 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole?
2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole has a molecular weight of 5867.66 g/mol, XLogP of 86.23, 42 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(3-dibenzothiophen-2-yl-4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;2-[3-(9,9-dimethylfluoren-2-yl)-4-methylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;hexakis(iridium(3+));2-[4-methyl-3-(6-methylnaphthalen-2-yl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;9-methyl-2-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;hexakis(4-(4-methylphenyl)-2-phenylpyridine);hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);9-[2-methyl-5-[5-(trideuteriomethyl)-2-pyridinyl]benzene-4-id-1-yl]carbazole is sourced from PubChem (CID 157495371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).