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

C210H205FGe4Ir4N16O4-8 — CID 159437771

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

8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 159437771) has the molecular formula C210H205FGe4Ir4N16O4-8 and a molecular weight of 4111.46 g/mol. Its IUPAC name is 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 159437771
• Molecular Formula: C210H205FGe4Ir4N16O4-8
• Molecular Weight: 4111.46 g/mol
• Exact Mass: 4117.27
• IUPAC Name: 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ncccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ncccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ncccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc4ccc(F)cc4cc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C36H30N3O.C34H27FN3O.2C34H26N3O.4C18H24GeN.4Ir/c1-22(2)29-20-25(24-12-6-5-7-13-24)21-30(23(3)4)33(29)39-32-18-9-8-17-31(32)38-35(39)28-15-10-14-26-27-16-11-19-37-36(27)40-34(26)28;1-19(2)23-9-7-10-24(20(3)4)31(23)38-30-14-6-5-13-29(30)36-33(38)26-12-8-11-25-27-18-21-17-22(35)15-16-28(21)37-34(27)39-32(25)26;1-34(2,3)27-18-10-14-23(22-12-5-4-6-13-22)30(27)37-29-20-8-7-19-28(29)36-32(37)26-16-9-15-24-25-17-11-21-35-33(25)38-31(24)26;1-34(2,3)23-18-19-29(27(21-23)22-11-5-4-6-12-22)37-30-17-8-7-16-28(30)36-32(37)26-14-9-13-24-25-15-10-20-35-33(25)38-31(24)26;4*1-13(2)16-11-18(15-9-7-14(3)8-10-15)20-12-17(16)19(4,5)6;;;;/h5-14,16-23H,1-4H3;5-11,13-20H,1-4H3;4-15,17-21H,1-3H3;4-13,15-21H,1-3H3;4*7-9,11-13H,1-6H3;;;;/q8*-1;;;;/i;;;;4*3D3,13D
• InChIKey: NGRNREYEUUZELA-BDUPUGHFSA-N
• XLogP: 54.62
• TPSA: 226.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4111.46
LogP ≤ 5	54.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 159437771) is 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ncccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ncccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ncccc23)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc4ccc(F)cc4cc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is NGRNREYEUUZELA-BDUPUGHFSA-N. The full InChI is InChI=1S/C36H30N3O.C34H27FN3O.2C34H26N3O.4C18H24GeN.4Ir/c1-22(2)29-20-25(24-12-6-5-7-13-24)21-30(23(3)4)33(29)39-32-18-9-8-17-31(32)38-35(39)28-15-10-14-26-27-16-11-19-37-36(27)40-34(26)28;1-19(2)23-9-7-10-24(20(3)4)31(23)38-30-14-6-5-13-29(30)36-33(38)26-12-8-11-25-27-18-21-17-22(35)15-16-28(21)37-34(27)39-32(25)26;1-34(2,3)27-18-10-14-23(22-12-5-4-6-13-22)30(27)37-29-20-8-7-19-28(29)36-32(37)26-16-9-15-24-25-17-11-21-35-33(25)38-31(24)26;1-34(2,3)23-18-19-29(27(21-23)22-11-5-4-6-12-22)37-30-17-8-7-16-28(30)36-32(37)26-14-9-13-24-25-15-10-20-35-33(25)38-31(24)26;4*1-13(2)16-11-18(15-9-7-14(3)8-10-15)20-12-17(16)19(4,5)6;;;;/h5-14,16-23H,1-4H3;5-11,13-20H,1-4H3;4-15,17-21H,1-3H3;4-13,15-21H,1-3H3;4*7-9,11-13H,1-6H3;;;;/q8*-1;;;;/i;;;;4*3D3,13D;;;;.

What are the key properties of 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 4111.46 g/mol, XLogP of 54.62, 31 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 159437771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).