bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C194H240Ge4Ir4N12O4-8 — CID 162016390

About bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 162016390) has the molecular formula C194H240Ge4Ir4N12O4-8 and a molecular weight of 3863.44 g/mol. Its IUPAC name is bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 162016390
• Molecular Formula: C194H240Ge4Ir4N12O4-8
• Molecular Weight: 3863.44 g/mol
• Exact Mass: 3869.44
• IUPAC Name: bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: CC(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3cc(CC4CCCCC4)ccn3)[c-]ccc12.CCC(C)(CC)c1ccnc(-c2[c-]ccc3c2oc2nc(C(C)C)ccc23)c1.CCC(CC)c1ccnc(-c2[c-]ccc3c2oc2nc(CC(C)(C)C)ccc23)c1.Cc1ccc2c(n1)oc1c(-c3cc(C(C)C4CCCCC4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H27N2O.C26H29N2O.C25H25N2O.C25H27N2O.2C24H34GeN.2C22H32GeN.4Ir/c1-17(2)23-12-11-21-20-9-6-10-22(25(20)29-26(21)28-23)24-16-19(13-14-27-24)15-18-7-4-3-5-8-18;1-6-17(7-2)18-13-14-27-23(15-18)22-10-8-9-20-21-12-11-19(16-26(3,4)5)28-25(21)29-24(20)22;1-16-11-12-21-20-9-6-10-22(24(20)28-25(21)27-16)23-15-19(13-14-26-23)17(2)18-7-4-3-5-8-18;1-6-25(5,7-2)17-13-14-26-22(15-17)20-10-8-9-18-19-11-12-21(16(3)4)27-24(19)28-23(18)20;2*1-18(2)14-22-16-24(26-17-23(22)25(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;2*1-16(2)12-18-14-21(24-15-20(18)23(6,7)8)17-10-9-11-19(13-17)22(3,4)5;;;;/h6,9,11-14,16-18H,3-5,7-8,15H2,1-2H3;8-9,11-15,17H,6-7,16H2,1-5H3;6,9,11-15,17-18H,3-5,7-8H2,1-2H3;8-9,11-16H,6-7H2,1-5H3;2*9,12,15-19H,6-8,10-11,14H2,1-5H3;2*9,11,13-16H,12H2,1-8H3;;;;/q8*-1
• InChIKey: MYOKFLJUDQBLLW-UHFFFAOYSA-N
• XLogP: 52.15
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 35
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3863.44
LogP ≤ 5	52.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 162016390) is bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is CC(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3cc(CC4CCCCC4)ccn3)[c-]ccc12.CCC(C)(CC)c1ccnc(-c2[c-]ccc3c2oc2nc(C(C)C)ccc23)c1.CCC(CC)c1ccnc(-c2[c-]ccc3c2oc2nc(CC(C)(C)C)ccc23)c1.Cc1ccc2c(n1)oc1c(-c3cc(C(C)C4CCCCC4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is MYOKFLJUDQBLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N2O.C26H29N2O.C25H25N2O.C25H27N2O.2C24H34GeN.2C22H32GeN.4Ir/c1-17(2)23-12-11-21-20-9-6-10-22(25(20)29-26(21)28-23)24-16-19(13-14-27-24)15-18-7-4-3-5-8-18;1-6-17(7-2)18-13-14-27-23(15-18)22-10-8-9-20-21-12-11-19(16-26(3,4)5)28-25(21)29-24(20)22;1-16-11-12-21-20-9-6-10-22(24(20)28-25(21)27-16)23-15-19(13-14-26-23)17(2)18-7-4-3-5-8-18;1-6-25(5,7-2)17-13-14-26-22(15-17)20-10-8-9-18-19-11-12-21(16(3)4)27-24(19)28-23(18)20;2*1-18(2)14-22-16-24(26-17-23(22)25(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;2*1-16(2)12-18-14-21(24-15-20(18)23(6,7)8)17-10-9-11-19(13-17)22(3,4)5;;;;/h6,9,11-14,16-18H,3-5,7-8,15H2,1-2H3;8-9,11-15,17H,6-7,16H2,1-5H3;6,9,11-15,17-18H,3-5,7-8H2,1-2H3;8-9,11-16H,6-7H2,1-5H3;2*9,12,15-19H,6-8,10-11,14H2,1-5H3;2*9,11,13-16H,12H2,1-8H3;;;;/q8*-1;;;;.

What are the key properties of bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 3863.44 g/mol, XLogP of 52.15, 35 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 162016390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).