4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)

C226H202F6Ge4Ir4N16O4-8 — CID 158505263

IUPAC4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)
SMILESFc1cccc2nc(-c3[c-]cc(-c4ccccc4)c4c3oc3cc(-c5ccccc5)cnc34)n(-c3ccc(-c4ccccc4)cc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Ge](C)(C)c3ccccc3)cn2)c(F)c1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(C([2H])([2H])[2H])c2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2nc3oc4c(-c5nc6ccccc6n5-c5c(C(C)C)cc(C(C)(C)C)cc5C(C)C)[c-]ccc4c3cc2c1.[2H]C([2H])([2H])c1ccccc1-c1ccc2c(n1)oc1c(-c3nc4cccc(F)c4n3-c3ccc4ccccc4c3)[c-]ccc12.[2H]C([2H])(c1ccccc1)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(C)cc3C(C)C)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C42H25FN3O.C39H38N3O.C38H34N3O.C35H21FN3O.C24H27FGeN.C17H21FGeN.C16H19FGeN.C15H17FGeN.4Ir/c43-35-17-10-18-36-40(35)46(32-21-19-29(20-22-32)27-11-4-1-5-12-27)42(45-36)34-24-23-33(30-15-8-3-9-16-30)38-39-37(47-41(34)38)25-31(26-44-39)28-13-6-2-7-14-28;1-22(2)29-20-26(39(6,7)8)21-30(23(3)4)35(29)42-34-15-10-9-14-33(34)40-37(42)28-13-11-12-27-31-19-25-18-24(5)16-17-32(25)41-38(31)43-36(27)28;1-23(2)31-20-25(5)21-32(24(3)4)35(31)41-34-17-10-9-16-33(34)40-37(41)30-15-11-14-28-29-19-18-27(39-38(29)42-36(28)30)22-26-12-7-6-8-13-26;1-21-8-2-5-11-25(21)30-19-18-27-26-12-6-13-28(33(26)40-35(27)38-30)34-37-31-15-7-14-29(36)32(31)39(34)24-17-16-22-9-3-4-10-23(22)20-24;1-17(2)13-19-15-24(21-12-11-18(3)14-22(21)25)27-16-23(19)26(4,5)20-9-7-6-8-10-20;1-12(2)15-10-17(13-6-8-14(18)9-7-13)20-11-16(15)19(3,4)5;1-11-7-6-8-13(16(11)17)15-9-12(2)14(10-19-15)18(3,4)5;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;;;;/h1-23,25-26H;9-12,14-23H,1-8H3;6-14,16-21,23-24H,22H2,1-5H3;2-12,14-20H,1H3;6-11,14-17H,13H2,1-5H3;6,8-12H,1-5H3;6-7,9-10H,1-5H3;5-6,8-10H,1-4H3;;;;/q8*-1;;;;/i;5D3;22D2;1D3;3D3;12D;1D3,2D3;1D3;;;;
InChIKeyCHMNSDLOEFMKSI-HQAXEKMUSA-N
MW4400.63 g/mol
LogP57.46
Rot. Bonds36

About 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)

4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium) (PubChem CID 158505263) has the molecular formula C226H202F6Ge4Ir4N16O4-8 and a molecular weight of 4400.63 g/mol. Its IUPAC name is 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium).

Molecular Properties

Compound Name4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)
PubChem CID158505263
Molecular FormulaC226H202F6Ge4Ir4N16O4-8
Molecular Weight4400.63 g/mol
Exact Mass4406.27
IUPAC Name4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)
SMILESFc1cccc2nc(-c3[c-]cc(-c4ccccc4)c4c3oc3cc(-c5ccccc5)cnc34)n(-c3ccc(-c4ccccc4)cc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Ge](C)(C)c3ccccc3)cn2)c(F)c1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(C([2H])([2H])[2H])c2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2nc3oc4c(-c5nc6ccccc6n5-c5c(C(C)C)cc(C(C)(C)C)cc5C(C)C)[c-]ccc4c3cc2c1.[2H]C([2H])([2H])c1ccccc1-c1ccc2c(n1)oc1c(-c3nc4cccc(F)c4n3-c3ccc4ccccc4c3)[c-]ccc12.[2H]C([2H])(c1ccccc1)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(C)cc3C(C)C)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C42H25FN3O.C39H38N3O.C38H34N3O.C35H21FN3O.C24H27FGeN.C17H21FGeN.C16H19FGeN.C15H17FGeN.4Ir/c43-35-17-10-18-36-40(35)46(32-21-19-29(20-22-32)27-11-4-1-5-12-27)42(45-36)34-24-23-33(30-15-8-3-9-16-30)38-39-37(47-41(34)38)25-31(26-44-39)28-13-6-2-7-14-28;1-22(2)29-20-26(39(6,7)8)21-30(23(3)4)35(29)42-34-15-10-9-14-33(34)40-37(42)28-13-11-12-27-31-19-25-18-24(5)16-17-32(25)41-38(31)43-36(27)28;1-23(2)31-20-25(5)21-32(24(3)4)35(31)41-34-17-10-9-16-33(34)40-37(41)30-15-11-14-28-29-19-18-27(39-38(29)42-36(28)30)22-26-12-7-6-8-13-26;1-21-8-2-5-11-25(21)30-19-18-27-26-12-6-13-28(33(26)40-35(27)38-30)34-37-31-15-7-14-29(36)32(31)39(34)24-17-16-22-9-3-4-10-23(22)20-24;1-17(2)13-19-15-24(21-12-11-18(3)14-22(21)25)27-16-23(19)26(4,5)20-9-7-6-8-10-20;1-12(2)15-10-17(13-6-8-14(18)9-7-13)20-11-16(15)19(3,4)5;1-11-7-6-8-13(16(11)17)15-9-12(2)14(10-19-15)18(3,4)5;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;;;;/h1-23,25-26H;9-12,14-23H,1-8H3;6-14,16-21,23-24H,22H2,1-5H3;2-12,14-20H,1H3;6-11,14-17H,13H2,1-5H3;6,8-12H,1-5H3;6-7,9-10H,1-5H3;5-6,8-10H,1-4H3;;;;/q8*-1;;;;/i;5D3;22D2;1D3;3D3;12D;1D3,2D3;1D3;;;;
InChIKeyCHMNSDLOEFMKSI-HQAXEKMUSA-N
XLogP57.46
TPSA226.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms260
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004400.63
LogP ≤ 557.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)?
The IUPAC name of 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium) (CID 158505263) is 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium).
What is the SMILES notation for 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)?
The canonical SMILES for 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium) is Fc1cccc2nc(-c3[c-]cc(-c4ccccc4)c4c3oc3cc(-c5ccccc5)cnc34)n(-c3ccc(-c4ccccc4)cc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Ge](C)(C)c3ccccc3)cn2)c(F)c1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(C([2H])([2H])[2H])c2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2nc3oc4c(-c5nc6ccccc6n5-c5c(C(C)C)cc(C(C)(C)C)cc5C(C)C)[c-]ccc4c3cc2c1.[2H]C([2H])([2H])c1ccccc1-c1ccc2c(n1)oc1c(-c3nc4cccc(F)c4n3-c3ccc4ccccc4c3)[c-]ccc12.[2H]C([2H])(c1ccccc1)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(C)cc3C(C)C)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)?
The InChIKey is CHMNSDLOEFMKSI-HQAXEKMUSA-N. The full InChI is InChI=1S/C42H25FN3O.C39H38N3O.C38H34N3O.C35H21FN3O.C24H27FGeN.C17H21FGeN.C16H19FGeN.C15H17FGeN.4Ir/c43-35-17-10-18-36-40(35)46(32-21-19-29(20-22-32)27-11-4-1-5-12-27)42(45-36)34-24-23-33(30-15-8-3-9-16-30)38-39-37(47-41(34)38)25-31(26-44-39)28-13-6-2-7-14-28;1-22(2)29-20-26(39(6,7)8)21-30(23(3)4)35(29)42-34-15-10-9-14-33(34)40-37(42)28-13-11-12-27-31-19-25-18-24(5)16-17-32(25)41-38(31)43-36(27)28;1-23(2)31-20-25(5)21-32(24(3)4)35(31)41-34-17-10-9-16-33(34)40-37(41)30-15-11-14-28-29-19-18-27(39-38(29)42-36(28)30)22-26-12-7-6-8-13-26;1-21-8-2-5-11-25(21)30-19-18-27-26-12-6-13-28(33(26)40-35(27)38-30)34-37-31-15-7-14-29(36)32(31)39(34)24-17-16-22-9-3-4-10-23(22)20-24;1-17(2)13-19-15-24(21-12-11-18(3)14-22(21)25)27-16-23(19)26(4,5)20-9-7-6-8-10-20;1-12(2)15-10-17(13-6-8-14(18)9-7-13)20-11-16(15)19(3,4)5;1-11-7-6-8-13(16(11)17)15-9-12(2)14(10-19-15)18(3,4)5;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;;;;/h1-23,25-26H;9-12,14-23H,1-8H3;6-14,16-21,23-24H,22H2,1-5H3;2-12,14-20H,1H3;6-11,14-17H,13H2,1-5H3;6,8-12H,1-5H3;6-7,9-10H,1-5H3;5-6,8-10H,1-4H3;;;;/q8*-1;;;;/i;5D3;22D2;1D3;3D3;12D;1D3,2D3;1D3;;;;.
What are the key properties of 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium)?
4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium) has a molecular weight of 4400.63 g/mol, XLogP of 57.46, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-(trideuteriomethyl)-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;2-[dideuterio(phenyl)methyl]-8-[1-[4-methyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[7-fluoro-1-(4-phenylphenyl)benzimidazol-2-yl]-3,9-diphenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylgermane;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium) is sourced from PubChem (CID 158505263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).