2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

C228H230Ge4Ir4N16O4-8 — CID 161212088

About 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (PubChem CID 161212088) has the molecular formula C228H230Ge4Ir4N16O4-8 and a molecular weight of 4317.76 g/mol. Its IUPAC name is 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

Molecular Properties

• Compound Name: 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
• PubChem CID: 161212088
• Molecular Formula: C228H230Ge4Ir4N16O4-8
• Molecular Weight: 4317.76 g/mol
• Exact Mass: 4323.37
• IUPAC Name: 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
• SMILES: CC(C)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]ccc3c2oc2nc(CC4CCCC4)ccc23)nc2ccccc21.CC(C)(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)[c-]ccc12.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3c(-c4ccccc4)cccc3-c3ccccc3)[c-]ccc12.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(CC(C)(C)C)ccc23)nc2ccccc21.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C41H32N3O.C41H40N3O.C40H36N3O.C34H26N3O.4C18H24GeN.4Ir/c1-27(2)25-30-23-24-34-33-19-12-20-35(39(33)45-41(34)42-30)40-43-37-21-9-10-22-38(37)44(40)26-36-31(28-13-5-3-6-14-28)17-11-18-32(36)29-15-7-4-8-16-29;1-25(2)33-22-28(27-14-9-8-10-15-27)23-34(26(3)4)37(33)44-36-19-12-11-18-35(36)43-39(44)32-17-13-16-30-31-21-20-29(24-41(5,6)7)42-40(31)45-38(30)32;1-40(2,3)33-25-28(27-14-5-4-6-15-27)20-23-35(33)43-36-19-10-9-18-34(36)42-38(43)32-17-11-16-30-31-22-21-29(24-26-12-7-8-13-26)41-39(31)44-37(30)32;1-34(2,3)30-21-20-26-25-12-9-13-27(31(25)38-33(26)36-30)32-35-28-14-7-8-15-29(28)37(32)24-18-16-23(17-19-24)22-10-5-4-6-11-22;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h3-19,21-24,27H,25-26H2,1-2H3;8-16,18-23,25-26H,24H2,1-7H3;4-6,9-11,14-16,18-23,25-26H,7-8,12-13,24H2,1-3H3;4-12,14-21H,1-3H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1
• InChIKey: IKASHTVQHKQRHL-UHFFFAOYSA-N
• XLogP: 58.06
• TPSA: 226.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4317.76
LogP ≤ 5	58.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The IUPAC name of 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (CID 161212088) is 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

What is the SMILES notation for 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The canonical SMILES for 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is CC(C)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]ccc3c2oc2nc(CC4CCCC4)ccc23)nc2ccccc21.CC(C)(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3)[c-]ccc12.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3c(-c4ccccc4)cccc3-c3ccccc3)[c-]ccc12.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(CC(C)(C)C)ccc23)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The InChIKey is IKASHTVQHKQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N3O.C41H40N3O.C40H36N3O.C34H26N3O.4C18H24GeN.4Ir/c1-27(2)25-30-23-24-34-33-19-12-20-35(39(33)45-41(34)42-30)40-43-37-21-9-10-22-38(37)44(40)26-36-31(28-13-5-3-6-14-28)17-11-18-32(36)29-15-7-4-8-16-29;1-25(2)33-22-28(27-14-9-8-10-15-27)23-34(26(3)4)37(33)44-36-19-12-11-18-35(36)43-39(44)32-17-13-16-30-31-21-20-29(24-41(5,6)7)42-40(31)45-38(30)32;1-40(2,3)33-25-28(27-14-5-4-6-15-27)20-23-35(33)43-36-19-10-9-18-34(36)42-38(43)32-17-11-16-30-31-22-21-29(24-26-12-7-8-13-26)41-39(31)44-37(30)32;1-34(2,3)30-21-20-26-25-12-9-13-27(31(25)38-33(26)36-30)32-35-28-14-7-8-15-29(28)37(32)24-18-16-23(17-19-24)22-10-5-4-6-11-22;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h3-19,21-24,27H,25-26H2,1-2H3;8-16,18-23,25-26H,24H2,1-7H3;4-6,9-11,14-16,18-23,25-26H,7-8,12-13,24H2,1-3H3;4-12,14-21H,1-3H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;.

What are the key properties of 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) has a molecular weight of 4317.76 g/mol, XLogP of 58.06, 37 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(cyclopentylmethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is sourced from PubChem (CID 161212088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).