1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)

C364H281F9Ir7N22O8SSi7-14 — CID 159648039

IUPAC1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
SMILESCC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3cc(-c5ccc(F)cc5)ccc34)nc3ccccc32)c(-c2ccccc2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Fc1cc(F)cc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)[c-]ccc4c3c2)c1.Fc1ccc(-c2ccc3c(c2)oc2c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cc(F)c5ccccc45)[c-]ccc23)cc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.N#Cc1ccc(-c2c[c-]c(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)cc1.[2H]C([2H])([2H])c1ccc(-c2c[c-]c(-c3nc4ccccc4n3CC)c3oc4ccccc4c23)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc3oc4c(-c5nc6ccccc6n5C(C)C)[c-]ccc4c3c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C47H34FN2O.C44H25F4N2O.C41H23F2N2O.C38H20N3O2.C37H19F2N2OS.C29H23N2O.C28H21N2O.2C15H18NSi.5C14H16NSi.7Ir/c1-47(2,3)34-28-39(31-13-6-4-7-14-31)44(40(29-34)32-15-8-5-9-16-32)50-42-20-11-10-19-41(42)49-46(50)38-18-12-17-37-36-26-23-33(27-43(36)51-45(37)38)30-21-24-35(48)25-22-30;45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;42-28-20-17-25(18-21-28)27-19-22-30-32-13-8-14-33(40(32)46-38(30)23-27)41-44-36-15-6-7-16-37(36)45(41)39-31-12-5-4-11-29(31)35(43)24-34(39)26-9-2-1-3-10-26;39-22-23-16-18-24(19-17-23)25-20-21-29(37-35(25)28-9-2-6-15-34(28)43-37)38-40-30-11-3-4-12-31(30)41(38)32-13-7-10-27-26-8-1-5-14-33(26)42-36(27)32;38-23-16-22(17-24(39)19-23)21-12-14-33-29(18-21)27-7-5-8-28(36(27)42-33)37-40-31-9-2-3-10-32(31)41(37)25-13-15-35-30(20-25)26-6-1-4-11-34(26)43-35;1-18(2)31-26-10-5-4-9-25(26)30-29(31)23-8-6-7-22-24-17-21(15-16-27(24)32-28(22)23)20-13-11-19(3)12-14-20;1-3-30-24-10-6-5-9-23(24)29-28(30)22-17-16-20(19-14-12-18(2)13-15-19)26-21-8-4-7-11-25(21)31-27(22)26;2*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;5*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;;/h4-17,19-29H,1-3H3;1-13,15-26H;1-13,15-24H;1-20H;1-7,9-20H;4-7,9-18H,1-3H3;4-16H,3H2,1-2H3;2*5-8,10-11H,1-4H3;5*4-7,9-11H,1-3H3;;;;;;;/q14*-1;;;;;;;/i;;;;;3D3;2D3;;;;;;;;;;;;;;
InChIKeyZVAYKTRLNZZBOQ-XNNZQFEQSA-N
MW6842.60 g/mol
LogP94.69
Rot. Bonds42

About 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)

1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 159648039) has the molecular formula C364H281F9Ir7N22O8SSi7-14 and a molecular weight of 6842.60 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
PubChem CID159648039
Molecular FormulaC364H281F9Ir7N22O8SSi7-14
Molecular Weight6842.60 g/mol
Exact Mass6842.81
IUPAC Name1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
SMILESCC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3cc(-c5ccc(F)cc5)ccc34)nc3ccccc32)c(-c2ccccc2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Fc1cc(F)cc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)[c-]ccc4c3c2)c1.Fc1ccc(-c2ccc3c(c2)oc2c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cc(F)c5ccccc45)[c-]ccc23)cc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.N#Cc1ccc(-c2c[c-]c(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)cc1.[2H]C([2H])([2H])c1ccc(-c2c[c-]c(-c3nc4ccccc4n3CC)c3oc4ccccc4c23)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc3oc4c(-c5nc6ccccc6n5C(C)C)[c-]ccc4c3c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C47H34FN2O.C44H25F4N2O.C41H23F2N2O.C38H20N3O2.C37H19F2N2OS.C29H23N2O.C28H21N2O.2C15H18NSi.5C14H16NSi.7Ir/c1-47(2,3)34-28-39(31-13-6-4-7-14-31)44(40(29-34)32-15-8-5-9-16-32)50-42-20-11-10-19-41(42)49-46(50)38-18-12-17-37-36-26-23-33(27-43(36)51-45(37)38)30-21-24-35(48)25-22-30;45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;42-28-20-17-25(18-21-28)27-19-22-30-32-13-8-14-33(40(32)46-38(30)23-27)41-44-36-15-6-7-16-37(36)45(41)39-31-12-5-4-11-29(31)35(43)24-34(39)26-9-2-1-3-10-26;39-22-23-16-18-24(19-17-23)25-20-21-29(37-35(25)28-9-2-6-15-34(28)43-37)38-40-30-11-3-4-12-31(30)41(38)32-13-7-10-27-26-8-1-5-14-33(26)42-36(27)32;38-23-16-22(17-24(39)19-23)21-12-14-33-29(18-21)27-7-5-8-28(36(27)42-33)37-40-31-9-2-3-10-32(31)41(37)25-13-15-35-30(20-25)26-6-1-4-11-34(26)43-35;1-18(2)31-26-10-5-4-9-25(26)30-29(31)23-8-6-7-22-24-17-21(15-16-27(24)32-28(22)23)20-13-11-19(3)12-14-20;1-3-30-24-10-6-5-9-23(24)29-28(30)22-17-16-20(19-14-12-18(2)13-15-19)26-21-8-4-7-11-25(21)31-27(22)26;2*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;5*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;;/h4-17,19-29H,1-3H3;1-13,15-26H;1-13,15-24H;1-20H;1-7,9-20H;4-7,9-18H,1-3H3;4-16H,3H2,1-2H3;2*5-8,10-11H,1-4H3;5*4-7,9-11H,1-3H3;;;;;;;/q14*-1;;;;;;;/i;;;;;3D3;2D3;;;;;;;;;;;;;;
InChIKeyZVAYKTRLNZZBOQ-XNNZQFEQSA-N
XLogP94.69
TPSA343.88 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms418
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006842.60
LogP ≤ 594.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The IUPAC name of 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 159648039) is 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane).
What is the SMILES notation for 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The canonical SMILES for 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) is CC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3cc(-c5ccc(F)cc5)ccc34)nc3ccccc32)c(-c2ccccc2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Fc1cc(F)cc(-c2ccc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)[c-]ccc4c3c2)c1.Fc1ccc(-c2ccc3c(c2)oc2c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cc(F)c5ccccc45)[c-]ccc23)cc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.N#Cc1ccc(-c2c[c-]c(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)cc1.[2H]C([2H])([2H])c1ccc(-c2c[c-]c(-c3nc4ccccc4n3CC)c3oc4ccccc4c23)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc3oc4c(-c5nc6ccccc6n5C(C)C)[c-]ccc4c3c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The InChIKey is ZVAYKTRLNZZBOQ-XNNZQFEQSA-N. The full InChI is InChI=1S/C47H34FN2O.C44H25F4N2O.C41H23F2N2O.C38H20N3O2.C37H19F2N2OS.C29H23N2O.C28H21N2O.2C15H18NSi.5C14H16NSi.7Ir/c1-47(2,3)34-28-39(31-13-6-4-7-14-31)44(40(29-34)32-15-8-5-9-16-32)50-42-20-11-10-19-41(42)49-46(50)38-18-12-17-37-36-26-23-33(27-43(36)51-45(37)38)30-21-24-35(48)25-22-30;45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;42-28-20-17-25(18-21-28)27-19-22-30-32-13-8-14-33(40(32)46-38(30)23-27)41-44-36-15-6-7-16-37(36)45(41)39-31-12-5-4-11-29(31)35(43)24-34(39)26-9-2-1-3-10-26;39-22-23-16-18-24(19-17-23)25-20-21-29(37-35(25)28-9-2-6-15-34(28)43-37)38-40-30-11-3-4-12-31(30)41(38)32-13-7-10-27-26-8-1-5-14-33(26)42-36(27)32;38-23-16-22(17-24(39)19-23)21-12-14-33-29(18-21)27-7-5-8-28(36(27)42-33)37-40-31-9-2-3-10-32(31)41(37)25-13-15-35-30(20-25)26-6-1-4-11-34(26)43-35;1-18(2)31-26-10-5-4-9-25(26)30-29(31)23-8-6-7-22-24-17-21(15-16-27(24)32-28(22)23)20-13-11-19(3)12-14-20;1-3-30-24-10-6-5-9-23(24)29-28(30)22-17-16-20(19-14-12-18(2)13-15-19)26-21-8-4-7-11-25(21)31-27(22)26;2*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;5*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;;/h4-17,19-29H,1-3H3;1-13,15-26H;1-13,15-24H;1-20H;1-7,9-20H;4-7,9-18H,1-3H3;4-16H,3H2,1-2H3;2*5-8,10-11H,1-4H3;5*4-7,9-11H,1-3H3;;;;;;;/q14*-1;;;;;;;/i;;;;;3D3;2D3;;;;;;;;;;;;;;.
What are the key properties of 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 6842.60 g/mol, XLogP of 94.69, 42 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-ethyl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;heptakis(iridium);1-propan-2-yl-2-[8-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;bis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane);pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 159648039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).