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

C160H117F24Ir4N41OS-20 — CID 159022474

IUPACtetrakis(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
SMILESCN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(C)c(N(c2nccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(C(C)(C)c2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(Oc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(Sc2cc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H22F6N6.C25H17F6N5.C22H11F6N5O.C22H11F6N5S.4C15H14N5.4Ir/c1-16-5-7-23-21(13-16)22-14-20(30(32,33)34)6-8-24(22)42(23)26-9-10-38-29(39-26)43(27-15-25(40-41-27)31(35,36)37)28-18(3)11-17(2)12-19(28)4;1-13-4-6-17-15(10-13)16-11-14(24(26,27)28)5-7-18(16)36(17)21-8-9-32-22(33-21)23(2,3)19-12-20(35-34-19)25(29,30)31;2*1-11-2-4-15-13(8-11)14-9-12(21(23,24)25)3-5-16(14)33(15)18-6-7-29-20(30-18)34-19-10-17(31-32-19)22(26,27)28;4*1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;;;;/h5-7,9-15H,1-4H3;4-6,8-12H,1-3H3;2*2-4,6-10H,1H3;4*3-8,11-12H,1-2H3;;;;/q4*-2;4*-3;;;;
InChIKeyQBTWBEYZIMYCED-UHFFFAOYSA-N
MW3886.87 g/mol
LogP35.12
Rot. Bonds21

About 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

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 (PubChem CID 159022474) has the molecular formula C160H117F24Ir4N41OS-20 and a molecular weight of 3886.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametetrakis(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
PubChem CID159022474
Molecular FormulaC160H117F24Ir4N41OS-20
Molecular Weight3886.87 g/mol
Exact Mass3887.83
IUPAC Nametetrakis(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
SMILESCN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(C)c(N(c2nccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(C(C)(C)c2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(Oc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(Sc2cc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H22F6N6.C25H17F6N5.C22H11F6N5O.C22H11F6N5S.4C15H14N5.4Ir/c1-16-5-7-23-21(13-16)22-14-20(30(32,33)34)6-8-24(22)42(23)26-9-10-38-29(39-26)43(27-15-25(40-41-27)31(35,36)37)28-18(3)11-17(2)12-19(28)4;1-13-4-6-17-15(10-13)16-11-14(24(26,27)28)5-7-18(16)36(17)21-8-9-32-22(33-21)23(2,3)19-12-20(35-34-19)25(29,30)31;2*1-11-2-4-15-13(8-11)14-9-12(21(23,24)25)3-5-16(14)33(15)18-6-7-29-20(30-18)34-19-10-17(31-32-19)22(26,27)28;4*1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;;;;/h5-7,9-15H,1-4H3;4-6,8-12H,1-3H3;2*2-4,6-10H,1H3;4*3-8,11-12H,1-2H3;;;;/q4*-2;4*-3;;;;
InChIKeyQBTWBEYZIMYCED-UHFFFAOYSA-N
XLogP35.12
TPSA390.27 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds21
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003886.87
LogP ≤ 535.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 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 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
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
tris(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);dimethyl-[4-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]pyrimidin-2-yl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(iridium);[4-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]pyrimidin-2-yl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanylpyrimidin-4-yl]-1H-carbazol-1-ide
CID 157941116
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 159349587
CID 159349587
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(C)c(N(c2nccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(C(C)(C)c2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(Oc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1ccnc(Sc2cc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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?
The InChIKey is QBTWBEYZIMYCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F6N6.C25H17F6N5.C22H11F6N5O.C22H11F6N5S.4C15H14N5.4Ir/c1-16-5-7-23-21(13-16)22-14-20(30(32,33)34)6-8-24(22)42(23)26-9-10-38-29(39-26)43(27-15-25(40-41-27)31(35,36)37)28-18(3)11-17(2)12-19(28)4;1-13-4-6-17-15(10-13)16-11-14(24(26,27)28)5-7-18(16)36(17)21-8-9-32-22(33-21)23(2,3)19-12-20(35-34-19)25(29,30)31;2*1-11-2-4-15-13(8-11)14-9-12(21(23,24)25)3-5-16(14)33(15)18-6-7-29-20(30-18)34-19-10-17(31-32-19)22(26,27)28;4*1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;;;;/h5-7,9-15H,1-4H3;4-6,8-12H,1-3H3;2*2-4,6-10H,1H3;4*3-8,11-12H,1-2H3;;;;/q4*-2;4*-3;;;;.
What are the key properties of 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?
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 has a molecular weight of 3886.87 g/mol, XLogP of 35.12, 21 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159022474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).