9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole)

C326H309F3Ir4N29-4 — CID 158252870

About 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole)

9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole) (PubChem CID 158252870) has the molecular formula C326H309F3Ir4N29-4 and a molecular weight of 5459.12 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole).

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole)
• PubChem CID: 158252870
• Molecular Formula: C326H309F3Ir4N29-4
• Molecular Weight: 5459.12 g/mol
• Exact Mass: 5458.36
• IUPAC Name: 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole)
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)(C)C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc(F)c(-c3c(C)cccc3C)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc(F)c(-c3c(C)cccc3C)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc(F)c(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(N2CCN=C2c2[c-]cccc2)c(C)c1.[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C48H34FN4.3C30H24N3.3C27H35N2.2C26H24FN2.C19H14N2.C18H19N2.C18H17N2.4Ir/c1-30-24-31(2)47(32(3)25-30)51-23-22-50-48(51)33-20-21-42(49)41(28-33)34-26-35(52-43-16-8-4-12-37(43)38-13-5-9-17-44(38)52)29-36(27-34)53-45-18-10-6-14-39(45)40-15-7-11-19-46(40)53;3*1-20-17-21(2)29(22(3)18-20)32-16-15-31-30(32)23-9-8-10-24(19-23)33-27-13-6-4-11-25(27)26-12-5-7-14-28(26)33;3*1-25(2,3)20-17-21(26(4,5)6)23(22(18-20)27(7,8)9)29-16-15-28-24(29)19-13-11-10-12-14-19;2*1-16-13-19(4)25(20(5)14-16)29-12-11-28-26(29)21-9-10-23(27)22(15-21)24-17(2)7-6-8-18(24)3;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;2*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;;;;/h4-19,21-29H,1-3H3;3*4-8,10-19H,1-3H3;3*10-13,15-18H,1-9H3;2*6-8,10-15H,1-5H3;1-11,13-15H;4-7,11-12H,9-10H2,1-3H3;4-7,9-12H,1-3H3;;;;/q9*-1;-2;2*-1;;3*+3
• InChIKey: KWEBMKGWDLMXPQ-UHFFFAOYSA-N
• XLogP: 82.25
• TPSA: 224.93 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 362
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5459.12
LogP ≤ 5	82.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole)?

The IUPAC name of 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole) (CID 158252870) is 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole).

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole)?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole) is CC(C)(C)c1cc(C(C)(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)(C)C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc(F)c(-c3c(C)cccc3C)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc(F)c(-c3c(C)cccc3C)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc(F)c(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(N2CCN=C2c2[c-]cccc2)c(C)c1.[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole)?

The InChIKey is KWEBMKGWDLMXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34FN4.3C30H24N3.3C27H35N2.2C26H24FN2.C19H14N2.C18H19N2.C18H17N2.4Ir/c1-30-24-31(2)47(32(3)25-30)51-23-22-50-48(51)33-20-21-42(49)41(28-33)34-26-35(52-43-16-8-4-12-37(43)38-13-5-9-17-44(38)52)29-36(27-34)53-45-18-10-6-14-39(45)40-15-7-11-19-46(40)53;3*1-20-17-21(2)29(22(3)18-20)32-16-15-31-30(32)23-9-8-10-24(19-23)33-27-13-6-4-11-25(27)26-12-5-7-14-28(26)33;3*1-25(2,3)20-17-21(26(4,5)6)23(22(18-20)27(7,8)9)29-16-15-28-24(29)19-13-11-10-12-14-19;2*1-16-13-19(4)25(20(5)14-16)29-12-11-28-26(29)21-9-10-23(27)22(15-21)24-17(2)7-6-8-18(24)3;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;2*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;;;;/h4-19,21-29H,1-3H3;3*4-8,10-19H,1-3H3;3*10-13,15-18H,1-9H3;2*6-8,10-15H,1-5H3;1-11,13-15H;4-7,11-12H,9-10H2,1-3H3;4-7,9-12H,1-3H3;;;;/q9*-1;-2;2*-1;;3*+3.

What are the key properties of 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole)?

9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole) has a molecular weight of 5459.12 g/mol, XLogP of 82.25, 32 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[2-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]carbazole;bis(2-[3-(2,6-dimethylphenyl)-4-fluorobenzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole);iridium;tris(iridium(3+));1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tris(2-phenyl-1-(2,4,6-tritert-butylphenyl)imidazole);2-phenyl-1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tris(9-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]carbazole) is sourced from PubChem (CID 158252870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).