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

C172H141BF36Ir4N34OSi-20 — CID 158610201

IUPAC9-[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
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(B(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-c1cc(C(C)(C)C)cc(C(C)(C)c2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(Oc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc([Si](C)(C)c2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H22BF6N5.C30H26F6N4.C27H20F6N4O.C24H17F6N5Si.4C15H14F3N4.4Ir/c1-16-8-10-23-21(14-16)22-15-20(30(33,34)35)9-11-24(22)43(23)26-7-5-6-25(39-26)32(27-18(3)12-17(2)13-19(27)4)29-40-28(41-42-29)31(36,37)38;1-16-7-9-21-19(11-16)20-12-17(29(31,32)33)8-10-22(20)40(21)26-14-18(27(2,3)4)13-23(37-26)28(5,6)24-15-25(39-38-24)30(34,35)36;1-14-5-7-19-17(9-14)18-10-15(26(28,29)30)6-8-20(18)37(19)22-11-16(25(2,3)4)12-23(34-22)38-24-13-21(35-36-24)27(31,32)33;1-13-7-9-17-15(11-13)16-12-14(23(25,26)27)8-10-18(16)35(17)19-5-4-6-20(31-19)36(2,3)22-32-21(33-34-22)24(28,29)30;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;7-9,11-15H,1-6H3;5-7,9-13H,1-4H3;4-9,11-12H,1-3H3;4*3-8,10-11H,1-2H3;;;;/q4*-2;4*-3;;;;
InChIKeyKICKUGVGCWTQHC-UHFFFAOYSA-N
MW4191.95 g/mol
LogP39.23
Rot. Bonds21

About 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

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 (PubChem CID 158610201) has the molecular formula C172H141BF36Ir4N34OSi-20 and a molecular weight of 4191.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID158610201
Molecular FormulaC172H141BF36Ir4N34OSi-20
Molecular Weight4191.95 g/mol
Exact Mass4192.99
IUPAC Name9-[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
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(B(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-c1cc(C(C)(C)C)cc(C(C)(C)c2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(Oc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc([Si](C)(C)c2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H22BF6N5.C30H26F6N4.C27H20F6N4O.C24H17F6N5Si.4C15H14F3N4.4Ir/c1-16-8-10-23-21(14-16)22-15-20(30(33,34)35)9-11-24(22)43(23)26-7-5-6-25(39-26)32(27-18(3)12-17(2)13-19(27)4)29-40-28(41-42-29)31(36,37)38;1-16-7-9-21-19(11-16)20-12-17(29(31,32)33)8-10-22(20)40(21)26-14-18(27(2,3)4)13-23(37-26)28(5,6)24-15-25(39-38-24)30(34,35)36;1-14-5-7-19-17(9-14)18-10-15(26(28,29)30)6-8-20(18)37(19)22-11-16(25(2,3)4)12-23(34-22)38-24-13-21(35-36-24)27(31,32)33;1-13-7-9-17-15(11-13)16-12-14(23(25,26)27)8-10-18(16)35(17)19-5-4-6-20(31-19)36(2,3)22-32-21(33-34-22)24(28,29)30;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;7-9,11-15H,1-6H3;5-7,9-13H,1-4H3;4-9,11-12H,1-3H3;4*3-8,10-11H,1-2H3;;;;/q4*-2;4*-3;;;;
InChIKeyKICKUGVGCWTQHC-UHFFFAOYSA-N
XLogP39.23
TPSA266.09 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004191.95
LogP ≤ 539.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Related Compounds

CID 157079148
CID 157079148
CID 157121282
CID 157121282
tris(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)-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]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(iridium)
CID 157212360
CID 157359930
CID 157359930
CID 157402914
CID 157402914
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
2-[3-[(3-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-methylbenzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157966291
9-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-carbazol-9-yl-2-pyridinyl]propan-2-yl]-4-pyridinyl]carbazole;2-[2-[4-(dimethylamino)-6-(3-phenyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-(3-phenyl-5H-pyrazol-5-id-1-yl)pyridin-4-amine;2-(3-fluoro-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-fluoro-5H-pyrazol-5-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenylpyridin-4-amine;4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;tetrakis(platinum(2+))
CID 157973667
9-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-carbazol-9-yl-2-pyridinyl]propan-2-yl]-4-pyridinyl]carbazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine;2-[2-[4-(dimethylamino)-6-(3-phenyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-N,N-dimethyl-6-(3-phenyl-5H-pyrazol-5-id-1-yl)pyridin-4-amine;4-methoxy-2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;tetrakis(platinum(2+))
CID 158055746
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]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tetrakis(iridium)
CID 158282993
9-[2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-4-carbazol-9-yl-2-pyridinyl]propan-2-yl]-4-pyridinyl]carbazole;N,N-dimethyl-2-[2-[4-methyl-6-(3-phenyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]-6-(3-phenyl-5H-pyrazol-5-id-1-yl)pyridin-4-amine;2-(3-fluoro-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-fluoro-5H-pyrazol-5-id-1-yl)-4-(N-phenylanilino)-2-pyridinyl]propan-2-yl]-N,N-diphenylpyridin-4-amine;2-[2-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-4-methyl-6-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tetrakis(platinum(2+))
CID 158286843
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(B(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-c1cc(C(C)(C)C)cc(C(C)(C)c2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(Oc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc([Si](C)(C)c2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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?
The InChIKey is KICKUGVGCWTQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22BF6N5.C30H26F6N4.C27H20F6N4O.C24H17F6N5Si.4C15H14F3N4.4Ir/c1-16-8-10-23-21(14-16)22-15-20(30(33,34)35)9-11-24(22)43(23)26-7-5-6-25(39-26)32(27-18(3)12-17(2)13-19(27)4)29-40-28(41-42-29)31(36,37)38;1-16-7-9-21-19(11-16)20-12-17(29(31,32)33)8-10-22(20)40(21)26-14-18(27(2,3)4)13-23(37-26)28(5,6)24-15-25(39-38-24)30(34,35)36;1-14-5-7-19-17(9-14)18-10-15(26(28,29)30)6-8-20(18)37(19)22-11-16(25(2,3)4)12-23(34-22)38-24-13-21(35-36-24)27(31,32)33;1-13-7-9-17-15(11-13)16-12-14(23(25,26)27)8-10-18(16)35(17)19-5-4-6-20(31-19)36(2,3)22-32-21(33-34-22)24(28,29)30;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;7-9,11-15H,1-6H3;5-7,9-13H,1-4H3;4-9,11-12H,1-3H3;4*3-8,10-11H,1-2H3;;;;/q4*-2;4*-3;;;;.
What are the key properties of 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?
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 has a molecular weight of 4191.95 g/mol, XLogP of 39.23, 21 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158610201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).