8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide

C₁₈₁H₁₇₂Ge₄Ir₄N₁₆O₄-8 — CID 158119536

About 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide

8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide (PubChem CID 158119536) has the molecular formula C₁₈₁H₁₇₂Ge₄Ir₄N₁₆O₄-8 and a molecular weight of 3710.88 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide.

Molecular Properties

• Compound Name: 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide
• PubChem CID: 158119536
• Molecular Formula: C₁₈₁H₁₇₂Ge₄Ir₄N₁₆O₄-8
• Molecular Weight: 3710.88 g/mol
• Exact Mass: 3717.02
• IUPAC Name: 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide
• SMILES: Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nc(C)ccc34)nc3ccccc32)c(C)c1.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C)cccc3C)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[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].[c-]1ccc2c(oc3c4ccccc4cnc23)c1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C28H16N3O.C28H22N3O.C27H20N3O.C26H18N3O.4C18H24GeN.4Ir/c1-2-10-19(11-3-1)31-24-16-7-6-15-23(24)30-28(31)22-14-8-13-21-25-27(32-26(21)22)20-12-5-4-9-18(20)17-29-25;1-16-14-17(2)25(18(3)15-16)31-24-11-6-5-10-23(24)30-27(31)22-9-7-8-20-21-13-12-19(4)29-28(21)32-26(20)22;1-16-8-6-9-17(2)24(16)30-23-13-5-4-12-22(23)29-26(30)21-11-7-10-19-20-15-14-18(3)28-27(20)31-25(19)21;1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)29(25)16-18-8-3-2-4-9-18;4*1-13(2)16-11-18(15-9-7-14(3)8-10-15)20-12-17(16)19(4,5)6;;;;/h1-13,15-17H;5-8,10-15H,1-4H3;4-10,12-15H,1-3H3;2-10,12-15H,16H2,1H3;4*7-9,11-13H,1-6H3;;;;/q8*-1;;;;/i;;;;4*3D3,13D
• InChIKey: BSLCXIZJBBMTIE-BDUPUGHFSA-N
• XLogP: 44.92
• TPSA: 226.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3710.88
LogP ≤ 5	44.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide?

The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide (CID 158119536) is 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide.

What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide?

The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide is Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nc(C)ccc34)nc3ccccc32)c(C)c1.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C)cccc3C)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[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].[c-]1ccc2c(oc3c4ccccc4cnc23)c1-c1nc2ccccc2n1-c1ccccc1.

What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide?

The InChIKey is BSLCXIZJBBMTIE-BDUPUGHFSA-N. The full InChI is InChI=1S/C28H16N3O.C28H22N3O.C27H20N3O.C26H18N3O.4C18H24GeN.4Ir/c1-2-10-19(11-3-1)31-24-16-7-6-15-23(24)30-28(31)22-14-8-13-21-25-27(32-26(21)22)20-12-5-4-9-18(20)17-29-25;1-16-14-17(2)25(18(3)15-16)31-24-11-6-5-10-23(24)30-27(31)22-9-7-8-20-21-13-12-19(4)29-28(21)32-26(20)22;1-16-8-6-9-17(2)24(16)30-23-13-5-4-12-22(23)29-26(30)21-11-7-10-19-20-15-14-18(3)28-27(20)31-25(19)21;1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)29(25)16-18-8-3-2-4-9-18;4*1-13(2)16-11-18(15-9-7-14(3)8-10-15)20-12-17(16)19(4,5)6;;;;/h1-13,15-17H;5-8,10-15H,1-4H3;4-10,12-15H,1-3H3;2-10,12-15H,16H2,1H3;4*7-9,11-13H,1-6H3;;;;/q8*-1;;;;/i;;;;4*3D3,13D;;;;.

What are the key properties of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide?

8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide has a molecular weight of 3710.88 g/mol, XLogP of 44.92, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-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);8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide is sourced from PubChem (CID 158119536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158119536 — identifiers, structure, computed properties (public domain)

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