8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)

C255H213F10Ge4Ir6N25S6Si2-12 — CID 158417411

IUPAC8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3sc3ncc(F)cc34)nc3ccccc32)cc1.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2sc2cc(C(F)(F)F)ncc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](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(-n2c(-c3[c-]cc(C)c4c3sc3nc(F)ccc34)nc3ccccc32)cc(C)n1.Cc1cc(C)c(-n2c(-c3[c-]cc(F)c4c3sc3nc(C(C)C)ccc34)nc3ccccc32)c(C)c1.Fc1cc2c(sc3c(-c4nc5ccccc5n4-c4ccc5ccccc5c4)[c-]cc(F)c32)c(F)n1.Fc1ccnc2sc3c(-c4nc5ccccc5n4-c4cccc5ccccc45)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H25F3N3S.C30H25FN3S.C28H13F3N3S.C28H15FN3S.C28H21FN3S.C26H18FN4S.4C14H16GeN.2C14H16NSi.6Ir/c1-17(2)19-9-7-10-20(18(3)4)28(19)37-25-14-6-5-13-24(25)36-30(37)22-12-8-11-21-23-16-35-27(31(32,33)34)15-26(23)38-29(21)22;1-16(2)23-13-11-20-26-22(31)12-10-21(28(26)35-30(20)33-23)29-32-24-8-6-7-9-25(24)34(29)27-18(4)14-17(3)15-19(27)5;29-20-12-11-18(25-24(20)19-14-23(30)33-27(31)26(19)35-25)28-32-21-7-3-4-8-22(21)34(28)17-10-9-15-5-1-2-6-16(15)13-17;29-21-15-16-30-28-25(21)19-10-6-11-20(26(19)33-28)27-31-22-12-3-4-13-24(22)32(27)23-14-5-8-17-7-1-2-9-18(17)23;1-28(2,3)17-11-13-19(14-12-17)32-24-10-5-4-9-23(24)31-26(32)21-8-6-7-20-22-15-18(29)16-30-27(22)33-25(20)21;1-14-8-9-19(24-23(14)18-10-11-22(27)30-26(18)32-24)25-29-20-6-4-5-7-21(20)31(25)17-12-15(2)28-16(3)13-17;4*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;2*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;/h5-11,13-18H,1-4H3;6-9,11-16H,1-5H3;1-10,12-14H;1-10,12-16H;4-7,9-16H,1-3H3;4-8,10-13H,1-3H3;6*4-7,9-11H,1-3H3;;;;;;/q12*-1;;;;;;
InChIKeyOEKIQXVJFOYWLC-UHFFFAOYSA-N
MW5509.98 g/mol
LogP66.29
Rot. Bonds27

About 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 158417411) has the molecular formula C255H213F10Ge4Ir6N25S6Si2-12 and a molecular weight of 5509.98 g/mol. Its IUPAC name is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

Compound Name8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
PubChem CID158417411
Molecular FormulaC255H213F10Ge4Ir6N25S6Si2-12
Molecular Weight5509.98 g/mol
Exact Mass5515.98
IUPAC Name8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3sc3ncc(F)cc34)nc3ccccc32)cc1.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2sc2cc(C(F)(F)F)ncc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](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(-n2c(-c3[c-]cc(C)c4c3sc3nc(F)ccc34)nc3ccccc32)cc(C)n1.Cc1cc(C)c(-n2c(-c3[c-]cc(F)c4c3sc3nc(C(C)C)ccc34)nc3ccccc32)c(C)c1.Fc1cc2c(sc3c(-c4nc5ccccc5n4-c4ccc5ccccc5c4)[c-]cc(F)c32)c(F)n1.Fc1ccnc2sc3c(-c4nc5ccccc5n4-c4cccc5ccccc45)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H25F3N3S.C30H25FN3S.C28H13F3N3S.C28H15FN3S.C28H21FN3S.C26H18FN4S.4C14H16GeN.2C14H16NSi.6Ir/c1-17(2)19-9-7-10-20(18(3)4)28(19)37-25-14-6-5-13-24(25)36-30(37)22-12-8-11-21-23-16-35-27(31(32,33)34)15-26(23)38-29(21)22;1-16(2)23-13-11-20-26-22(31)12-10-21(28(26)35-30(20)33-23)29-32-24-8-6-7-9-25(24)34(29)27-18(4)14-17(3)15-19(27)5;29-20-12-11-18(25-24(20)19-14-23(30)33-27(31)26(19)35-25)28-32-21-7-3-4-8-22(21)34(28)17-10-9-15-5-1-2-6-16(15)13-17;29-21-15-16-30-28-25(21)19-10-6-11-20(26(19)33-28)27-31-22-12-3-4-13-24(22)32(27)23-14-5-8-17-7-1-2-9-18(17)23;1-28(2,3)17-11-13-19(14-12-17)32-24-10-5-4-9-23(24)31-26(32)21-8-6-7-20-22-15-18(29)16-30-27(22)33-25(20)21;1-14-8-9-19(24-23(14)18-10-11-22(27)30-26(18)32-24)25-29-20-6-4-5-7-21(20)31(25)17-12-15(2)28-16(3)13-17;4*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;2*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;/h5-11,13-18H,1-4H3;6-9,11-16H,1-5H3;1-10,12-14H;1-10,12-16H;4-7,9-16H,1-3H3;4-8,10-13H,1-3H3;6*4-7,9-11H,1-3H3;;;;;;/q12*-1;;;;;;
InChIKeyOEKIQXVJFOYWLC-UHFFFAOYSA-N
XLogP66.29
TPSA274.49 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms308
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005509.98
LogP ≤ 566.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 158417411) is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane).
What is the SMILES notation for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The canonical SMILES for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3sc3ncc(F)cc34)nc3ccccc32)cc1.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2sc2cc(C(F)(F)F)ncc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](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(-n2c(-c3[c-]cc(C)c4c3sc3nc(F)ccc34)nc3ccccc32)cc(C)n1.Cc1cc(C)c(-n2c(-c3[c-]cc(F)c4c3sc3nc(C(C)C)ccc34)nc3ccccc32)c(C)c1.Fc1cc2c(sc3c(-c4nc5ccccc5n4-c4ccc5ccccc5c4)[c-]cc(F)c32)c(F)n1.Fc1ccnc2sc3c(-c4nc5ccccc5n4-c4cccc5ccccc45)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The InChIKey is OEKIQXVJFOYWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N3S.C30H25FN3S.C28H13F3N3S.C28H15FN3S.C28H21FN3S.C26H18FN4S.4C14H16GeN.2C14H16NSi.6Ir/c1-17(2)19-9-7-10-20(18(3)4)28(19)37-25-14-6-5-13-24(25)36-30(37)22-12-8-11-21-23-16-35-27(31(32,33)34)15-26(23)38-29(21)22;1-16(2)23-13-11-20-26-22(31)12-10-21(28(26)35-30(20)33-23)29-32-24-8-6-7-9-25(24)34(29)27-18(4)14-17(3)15-19(27)5;29-20-12-11-18(25-24(20)19-14-23(30)33-27(31)26(19)35-25)28-32-21-7-3-4-8-22(21)34(28)17-10-9-15-5-1-2-6-16(15)13-17;29-21-15-16-30-28-25(21)19-10-6-11-20(26(19)33-28)27-31-22-12-3-4-13-24(22)32(27)23-14-5-8-17-7-1-2-9-18(17)23;1-28(2,3)17-11-13-19(14-12-17)32-24-10-5-4-9-23(24)31-26(32)21-8-6-7-20-22-15-18(29)16-30-27(22)33-25(20)21;1-14-8-9-19(24-23(14)18-10-11-22(27)30-26(18)32-24)25-29-20-6-4-5-7-21(20)31(25)17-12-15(2)28-16(3)13-17;4*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;2*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;/h5-11,13-18H,1-4H3;6-9,11-16H,1-5H3;1-10,12-14H;1-10,12-16H;4-7,9-16H,1-3H3;4-8,10-13H,1-3H3;6*4-7,9-11H,1-3H3;;;;;;/q12*-1;;;;;;.
What are the key properties of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 5509.98 g/mol, XLogP of 66.29, 27 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 158417411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).