tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide

C160H117F36Ir4N37OS-20 — CID 159822380

IUPACtetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide
SMILESCN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1cc(C)c(N(c2cccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2nc(C(F)(F)F)n[n-]2)c(C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(C(C)(C)c2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Oc2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Sc2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H22F6N6.C25H17F6N5.C22H11F6N5O.C22H11F6N5S.4C15H14F3N4.4Ir/c1-16-8-10-23-21(14-16)22-15-20(30(32,33)34)9-11-24(22)42(23)25-6-5-7-26(38-25)43(27-18(3)12-17(2)13-19(27)4)29-39-28(40-41-29)31(35,36)37;1-13-7-9-17-15(11-13)16-12-14(24(26,27)28)8-10-18(16)36(17)20-6-4-5-19(32-20)23(2,3)21-33-22(35-34-21)25(29,30)31;2*1-11-5-7-15-13(9-11)14-10-12(21(23,24)25)6-8-16(14)33(15)17-3-2-4-18(29-17)34-20-30-19(31-32-20)22(26,27)28;4*1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;;;;/h5-10,12-15H,1-4H3;4-9,11-12H,1-3H3;2*2-7,9-10H,1H3;4*3-8,10-11H,1-2H3;;;;/q4*-2;4*-3;;;;
InChIKeyKBLYSLLVFYOIPN-UHFFFAOYSA-N
MW4058.82 g/mol
LogP39.70
Rot. Bonds21

About tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide

tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide (PubChem CID 159822380) has the molecular formula C160H117F36Ir4N37OS-20 and a molecular weight of 4058.82 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide.

Molecular Properties

Compound Nametetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide
PubChem CID159822380
Molecular FormulaC160H117F36Ir4N37OS-20
Molecular Weight4058.82 g/mol
Exact Mass4059.80
IUPAC Nametetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide
SMILESCN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1cc(C)c(N(c2cccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2nc(C(F)(F)F)n[n-]2)c(C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(C(C)(C)c2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Oc2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Sc2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H22F6N6.C25H17F6N5.C22H11F6N5O.C22H11F6N5S.4C15H14F3N4.4Ir/c1-16-8-10-23-21(14-16)22-15-20(30(32,33)34)9-11-24(22)42(23)25-6-5-7-26(38-25)43(27-18(3)12-17(2)13-19(27)4)29-39-28(40-41-29)31(35,36)37;1-13-7-9-17-15(11-13)16-12-14(24(26,27)28)8-10-18(16)36(17)20-6-4-5-19(32-20)23(2,3)21-33-22(35-34-21)25(29,30)31;2*1-11-5-7-15-13(9-11)14-10-12(21(23,24)25)6-8-16(14)33(15)17-3-2-4-18(29-17)34-20-30-19(31-32-20)22(26,27)28;4*1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;;;;/h5-10,12-15H,1-4H3;4-9,11-12H,1-3H3;2*2-7,9-10H,1H3;4*3-8,10-11H,1-2H3;;;;/q4*-2;4*-3;;;;
InChIKeyKBLYSLLVFYOIPN-UHFFFAOYSA-N
XLogP39.70
TPSA295.11 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004058.82
LogP ≤ 539.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide with MolForge

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Related Compounds

CID 157121282
CID 157121282
tetrakis(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]oxy]-4H-pyridin-4-ide;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]oxy]-4H-pyridin-4-ide;tetrakis(iridium)
CID 157260461
tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide
CID 157769761
tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide
CID 158366588
tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);tris(iridium);6-isocyano-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide-3-carbonitrile;6-isocyano-9-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide-3-carbonitrile;6-isocyano-9-[6-(2,4,6-trimethyl-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]anilino)-2-pyridinyl]-1H-carbazol-1-ide-3-carbonitrile
CID 158600368
9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane
CID 158610201
CID 158889373
CID 158889373
tetrakis(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);tetrakis(iridium);4-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyrimidin-2-amine;6-methyl-3-(trifluoromethyl)-9-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxypyrimidin-4-yl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]pyrimidin-4-yl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanylpyrimidin-4-yl]-1H-carbazol-1-ide
CID 159022474
CID 159349587
CID 159349587
tetrakis(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);tetrakis(iridium);6-isocyano-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide-3-carbonitrile;6-isocyano-9-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide-3-carbonitrile;6-isocyano-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide-3-carbonitrile;6-isocyano-9-[6-(2,4,6-trimethyl-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]anilino)-2-pyridinyl]-1H-carbazol-1-ide-3-carbonitrile
CID 160358831
4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)
CID 160603783
tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide
CID 161298401

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide?
The IUPAC name of tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide (CID 159822380) is tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide.
What is the SMILES notation for tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide?
The canonical SMILES for tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1cc(C)c(N(c2cccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2nc(C(F)(F)F)n[n-]2)c(C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(C(C)(C)c2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Oc2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Sc2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide?
The InChIKey is KBLYSLLVFYOIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F6N6.C25H17F6N5.C22H11F6N5O.C22H11F6N5S.4C15H14F3N4.4Ir/c1-16-8-10-23-21(14-16)22-15-20(30(32,33)34)9-11-24(22)42(23)25-6-5-7-26(38-25)43(27-18(3)12-17(2)13-19(27)4)29-39-28(40-41-29)31(35,36)37;1-13-7-9-17-15(11-13)16-12-14(24(26,27)28)8-10-18(16)36(17)20-6-4-5-19(32-20)23(2,3)21-33-22(35-34-21)25(29,30)31;2*1-11-5-7-15-13(9-11)14-10-12(21(23,24)25)6-8-16(14)33(15)17-3-2-4-18(29-17)34-20-30-19(31-32-20)22(26,27)28;4*1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;;;;/h5-10,12-15H,1-4H3;4-9,11-12H,1-3H3;2*2-7,9-10H,1H3;4*3-8,10-11H,1-2H3;;;;/q4*-2;4*-3;;;;.
What are the key properties of tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide?
tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide has a molecular weight of 4058.82 g/mol, XLogP of 39.70, 21 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide is sourced from PubChem (CID 159822380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).