5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole

C256H271Ir6N13-6 — CID 159147475

IUPAC5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCCCCCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(-c2cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1.Cc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(-c2c(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)cc2C)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C69H72N3.C51H59N2.2C43H43N2.C27H27N2.C23H27N2.6Ir/c1-44-35-53(59-42-56(49-23-31-62(32-24-49)68(10,11)12)39-57(43-59)50-25-33-63(34-26-50)69(13,14)15)36-45(2)64(44)72-65(70-46(3)71-72)52-18-16-17-51(37-52)58-40-54(47-19-27-60(28-20-47)66(4,5)6)38-55(41-58)48-21-29-61(30-22-48)67(7,8)9;1-35-28-40(29-36(2)46(35)53-27-26-52-47(53)39-16-14-13-15-17-39)43-31-41(37-18-22-44(23-19-37)50(9,10)33-48(3,4)5)30-42(32-43)38-20-24-45(25-21-38)51(11,12)34-49(6,7)8;1-29-11-9-12-30(2)40(29)45-24-23-44-41(45)34-14-10-13-33(25-34)37-27-35(31-15-19-38(20-16-31)42(3,4)5)26-36(28-37)32-17-21-39(22-18-32)43(6,7)8;1-29-24-34(25-30(2)40(29)45-23-22-44-41(45)33-12-10-9-11-13-33)37-27-35(31-14-18-38(19-15-31)42(3,4)5)26-36(28-37)32-16-20-39(21-17-32)43(6,7)8;1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-4-5-6-8-11-20-16-18(2)22(19(3)17-20)25-15-14-24-23(25)21-12-9-7-10-13-21;;;;;;/h16-17,19-43H,1-15H3;13-16,18-32H,33-34H2,1-12H3;9-13,15-28H,1-8H3;9-12,14-28H,1-8H3;5-13,15-20H,1-4H3;7,9-10,12,14-17H,4-6,8,11H2,1-3H3;;;;;;/q6*-1;;;;;;
InChIKeyQTVMXRIQQLBXJB-UHFFFAOYSA-N
MW4683.38 g/mol
LogP69.66
Rot. Bonds39

About 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole

5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 159147475) has the molecular formula C256H271Ir6N13-6 and a molecular weight of 4683.38 g/mol. Its IUPAC name is 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
PubChem CID159147475
Molecular FormulaC256H271Ir6N13-6
Molecular Weight4683.38 g/mol
Exact Mass4684.94
IUPAC Name5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCCCCCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(-c2cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1.Cc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(-c2c(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)cc2C)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C69H72N3.C51H59N2.2C43H43N2.C27H27N2.C23H27N2.6Ir/c1-44-35-53(59-42-56(49-23-31-62(32-24-49)68(10,11)12)39-57(43-59)50-25-33-63(34-26-50)69(13,14)15)36-45(2)64(44)72-65(70-46(3)71-72)52-18-16-17-51(37-52)58-40-54(47-19-27-60(28-20-47)66(4,5)6)38-55(41-58)48-21-29-61(30-22-48)67(7,8)9;1-35-28-40(29-36(2)46(35)53-27-26-52-47(53)39-16-14-13-15-17-39)43-31-41(37-18-22-44(23-19-37)50(9,10)33-48(3,4)5)30-42(32-43)38-20-24-45(25-21-38)51(11,12)34-49(6,7)8;1-29-11-9-12-30(2)40(29)45-24-23-44-41(45)34-14-10-13-33(25-34)37-27-35(31-15-19-38(20-16-31)42(3,4)5)26-36(28-37)32-17-21-39(22-18-32)43(6,7)8;1-29-24-34(25-30(2)40(29)45-23-22-44-41(45)33-12-10-9-11-13-33)37-27-35(31-14-18-38(19-15-31)42(3,4)5)26-36(28-37)32-16-20-39(21-17-32)43(6,7)8;1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-4-5-6-8-11-20-16-18(2)22(19(3)17-20)25-15-14-24-23(25)21-12-9-7-10-13-21;;;;;;/h16-17,19-43H,1-15H3;13-16,18-32H,33-34H2,1-12H3;9-13,15-28H,1-8H3;9-12,14-28H,1-8H3;5-13,15-20H,1-4H3;7,9-10,12,14-17H,4-6,8,11H2,1-3H3;;;;;;/q6*-1;;;;;;
InChIKeyQTVMXRIQQLBXJB-UHFFFAOYSA-N
XLogP69.66
TPSA119.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds39
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004683.38
LogP ≤ 569.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole with MolForge

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Related Compounds

2-[3-[3,5-bis(4-tert-butylphenyl)-2-methylphenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;tris(iridium)
CID 161273432
5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)
CID 158995743
8-[3,5-bis(4-tert-butylphenyl)-2,6-dimethylphenyl]-1-(2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;bis(iridium)
CID 160674012
3-[3,5-bis(4-tert-butylphenyl)phenyl]-N-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-N'-ethanimidoylbenzene-6-ide-1-carboximidamide;N-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-N'-ethanimidoylbenzenecarboximidamide;3-[3,5-bis(4-tert-butylphenyl)phenyl]-N-(2,6-dimethylphenyl)-N'-ethanimidoylbenzene-6-ide-1-carboximidamide;3-[3,5-bis(4-tert-butylphenyl)phenyl]-N'-ethanimidoyl-N-methylbenzene-6-ide-1-carboximidamide;3-[3-(3,5-diphenylphenyl)phenyl]-N'-ethanimidoyl-N-methylbenzene-6-ide-1-carboximidamide;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium)
CID 159493856
tris(5-[3-(4-hexyl-2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole);tris(1-(4-hexyl-2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole);tris(iridium);tris(1-methyl-5-phenyl-3-propyl-1,2,4-triazole)
CID 158018294
5-[3-[3,5-bis[4-(3-phenylpentan-3-yl)phenyl]phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;iridium
CID 164927747
1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)
CID 157260548
7-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-4-(4-hexyl-2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole;bis(iridium)
CID 158559335
1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
CID 144549338
1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole
CID 140794539
iridium;1-phenyl-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175662
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?
The IUPAC name of 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole (CID 159147475) is 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole.
What is the SMILES notation for 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?
The canonical SMILES for 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCCCCCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(-c2cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1.Cc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(-c2c(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)cc2C)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?
The InChIKey is QTVMXRIQQLBXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H72N3.C51H59N2.2C43H43N2.C27H27N2.C23H27N2.6Ir/c1-44-35-53(59-42-56(49-23-31-62(32-24-49)68(10,11)12)39-57(43-59)50-25-33-63(34-26-50)69(13,14)15)36-45(2)64(44)72-65(70-46(3)71-72)52-18-16-17-51(37-52)58-40-54(47-19-27-60(28-20-47)66(4,5)6)38-55(41-58)48-21-29-61(30-22-48)67(7,8)9;1-35-28-40(29-36(2)46(35)53-27-26-52-47(53)39-16-14-13-15-17-39)43-31-41(37-18-22-44(23-19-37)50(9,10)33-48(3,4)5)30-42(32-43)38-20-24-45(25-21-38)51(11,12)34-49(6,7)8;1-29-11-9-12-30(2)40(29)45-24-23-44-41(45)34-14-10-13-33(25-34)37-27-35(31-15-19-38(20-16-31)42(3,4)5)26-36(28-37)32-17-21-39(22-18-32)43(6,7)8;1-29-24-34(25-30(2)40(29)45-23-22-44-41(45)33-12-10-9-11-13-33)37-27-35(31-14-18-38(19-15-31)42(3,4)5)26-36(28-37)32-16-20-39(21-17-32)43(6,7)8;1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-4-5-6-8-11-20-16-18(2)22(19(3)17-20)25-15-14-24-23(25)21-12-9-7-10-13-21;;;;;;/h16-17,19-43H,1-15H3;13-16,18-32H,33-34H2,1-12H3;9-13,15-28H,1-8H3;9-12,14-28H,1-8H3;5-13,15-20H,1-4H3;7,9-10,12,14-17H,4-6,8,11H2,1-3H3;;;;;;/q6*-1;;;;;;.
What are the key properties of 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?
5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 4683.38 g/mol, XLogP of 69.66, 39 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-1,2,4-triazole;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-dimethylphenyl]-2-phenylimidazole;1-(4-hexyl-2,6-dimethylphenyl)-2-phenylimidazole;hexakis(iridium);2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 159147475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).