8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)

C169H160F6Ir3N12O3Si3-6 — CID 158297325

IUPAC8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)
SMILESCC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1CCCn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccc3ccccc3c21.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccc5ccccc5c4n3-c3ccc(C(C)C)cc3)[c-]cc(C)c12.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccc5ccccc5c4n3Cc3ccccc3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)c(F)c1.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)c1F.[Ir].[Ir].[Ir]
InChIInChI=1S/C40H32N3O.C38H33F3N3O.C37H26N3O.3C18H23FNSi.3Ir/c1-23(2)27-14-17-29(18-15-27)43-37-30-12-7-6-11-28(30)16-21-34(37)41-39(43)32-19-13-26(5)36-31-20-22-33(42-40(31)44-38(32)36)35-24(3)9-8-10-25(35)4;1-22(2)25-12-7-13-26(23(3)4)28(25)16-9-21-44-34-27-11-6-5-10-24(27)17-19-32(34)42-36(44)31-15-8-14-29-30-18-20-33(38(39,40)41)43-37(30)45-35(29)31;1-23-10-8-11-24(2)33(23)31-21-19-29-28-16-9-17-30(35(28)41-37(29)39-31)36-38-32-20-18-26-14-6-7-15-27(26)34(32)40(36)22-25-12-4-3-5-13-25;1-12(2)15-10-17(20-11-18(15)21(4,5)6)14-8-7-13(3)9-16(14)19;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;1-13(2)10-14-11-17(15-8-6-7-9-16(15)19)20-12-18(14)21(3,4)5;;;/h6-18,20-23H,1-5H3;5-8,10-14,17-20,22-23H,9,16,21H2,1-4H3;3-16,18-21H,22H2,1-2H3;7,9-12H,1-6H3;7-8,10-12H,1-6H3;6-7,9,11-13H,10H2,1-5H3;;;/q6*-1;;;/i;;;3D3,12D;3D3;;;;
InChIKeyYFANOYXDHCADEV-FHOYVEBTSA-N
MW3189.16 g/mol
LogP44.54
Rot. Bonds27

About 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)

8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium) (PubChem CID 158297325) has the molecular formula C169H160F6Ir3N12O3Si3-6 and a molecular weight of 3189.16 g/mol. Its IUPAC name is 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium).

Molecular Properties

Compound Name8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)
PubChem CID158297325
Molecular FormulaC169H160F6Ir3N12O3Si3-6
Molecular Weight3189.16 g/mol
Exact Mass3189.13
IUPAC Name8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)
SMILESCC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1CCCn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccc3ccccc3c21.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccc5ccccc5c4n3-c3ccc(C(C)C)cc3)[c-]cc(C)c12.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccc5ccccc5c4n3Cc3ccccc3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)c(F)c1.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)c1F.[Ir].[Ir].[Ir]
InChIInChI=1S/C40H32N3O.C38H33F3N3O.C37H26N3O.3C18H23FNSi.3Ir/c1-23(2)27-14-17-29(18-15-27)43-37-30-12-7-6-11-28(30)16-21-34(37)41-39(43)32-19-13-26(5)36-31-20-22-33(42-40(31)44-38(32)36)35-24(3)9-8-10-25(35)4;1-22(2)25-12-7-13-26(23(3)4)28(25)16-9-21-44-34-27-11-6-5-10-24(27)17-19-32(34)42-36(44)31-15-8-14-29-30-18-20-33(38(39,40)41)43-37(30)45-35(29)31;1-23-10-8-11-24(2)33(23)31-21-19-29-28-16-9-17-30(35(28)41-37(29)39-31)36-38-32-20-18-26-14-6-7-15-27(26)34(32)40(36)22-25-12-4-3-5-13-25;1-12(2)15-10-17(20-11-18(15)21(4,5)6)14-8-7-13(3)9-16(14)19;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;1-13(2)10-14-11-17(15-8-6-7-9-16(15)19)20-12-18(14)21(3,4)5;;;/h6-18,20-23H,1-5H3;5-8,10-14,17-20,22-23H,9,16,21H2,1-4H3;3-16,18-21H,22H2,1-2H3;7,9-12H,1-6H3;7-8,10-12H,1-6H3;6-7,9,11-13H,10H2,1-5H3;;;/q6*-1;;;/i;;;3D3,12D;3D3;;;;
InChIKeyYFANOYXDHCADEV-FHOYVEBTSA-N
XLogP44.54
TPSA170.22 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003189.16
LogP ≤ 544.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium) with MolForge

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Related Compounds

iridium;8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667415
8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667464
iridium;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667733
8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
CID 156667762
iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667872
8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667891
iridium;8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668055
8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 156668062
iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156668217
8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 156668478
8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 156668575
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668787

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)?
The IUPAC name of 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium) (CID 158297325) is 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium).
What is the SMILES notation for 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)?
The canonical SMILES for 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium) is CC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1CCCn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccc3ccccc3c21.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccc5ccccc5c4n3-c3ccc(C(C)C)cc3)[c-]cc(C)c12.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccc5ccccc5c4n3Cc3ccccc3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)c(F)c1.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)c1F.[Ir].[Ir].[Ir].
What is the InChIKey of 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)?
The InChIKey is YFANOYXDHCADEV-FHOYVEBTSA-N. The full InChI is InChI=1S/C40H32N3O.C38H33F3N3O.C37H26N3O.3C18H23FNSi.3Ir/c1-23(2)27-14-17-29(18-15-27)43-37-30-12-7-6-11-28(30)16-21-34(37)41-39(43)32-19-13-26(5)36-31-20-22-33(42-40(31)44-38(32)36)35-24(3)9-8-10-25(35)4;1-22(2)25-12-7-13-26(23(3)4)28(25)16-9-21-44-34-27-11-6-5-10-24(27)17-19-32(34)42-36(44)31-15-8-14-29-30-18-20-33(38(39,40)41)43-37(30)45-35(29)31;1-23-10-8-11-24(2)33(23)31-21-19-29-28-16-9-17-30(35(28)41-37(29)39-31)36-38-32-20-18-26-14-6-7-15-27(26)34(32)40(36)22-25-12-4-3-5-13-25;1-12(2)15-10-17(20-11-18(15)21(4,5)6)14-8-7-13(3)9-16(14)19;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;1-13(2)10-14-11-17(15-8-6-7-9-16(15)19)20-12-18(14)21(3,4)5;;;/h6-18,20-23H,1-5H3;5-8,10-14,17-20,22-23H,9,16,21H2,1-4H3;3-16,18-21H,22H2,1-2H3;7,9-12H,1-6H3;7-8,10-12H,1-6H3;6-7,9,11-13H,10H2,1-5H3;;;/q6*-1;;;/i;;;3D3,12D;3D3;;;;.
What are the key properties of 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium)?
8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium) has a molecular weight of 3189.16 g/mol, XLogP of 44.54, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzylbenzo[e]benzimidazol-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;tris(iridium) is sourced from PubChem (CID 158297325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).