[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C45H51GeIrN3O-2 — CID 155612354

About [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 155612354) has the molecular formula C45H51GeIrN3O-2 and a molecular weight of 914.75 g/mol. Its IUPAC name is [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 155612354
• Molecular Formula: C45H51GeIrN3O-2
• Molecular Weight: 914.75 g/mol
• Exact Mass: 916.29
• IUPAC Name: [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nccc4c3CCCC4)[c-]ccc12.[Ir]
• InChI: InChI=1S/C24H34GeN.C21H17N2O.Ir/c1-18(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;1-13-9-10-17-16-7-4-8-18(20(16)24-21(17)23-13)19-15-6-3-2-5-14(15)11-12-22-19;/h9,12,15-19H,6-8,10-11,14H2,1-5H3;4,7,9-12H,2-3,5-6H2,1H3;/q2*-1
• InChIKey: DXCLPKGXKNSDKA-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.75
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 155612354) is [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nccc4c3CCCC4)[c-]ccc12.[Ir].

What is the InChIKey of [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is DXCLPKGXKNSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34GeN.C21H17N2O.Ir/c1-18(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;1-13-9-10-17-16-7-4-8-18(20(16)24-21(17)23-13)19-15-6-3-2-5-14(15)11-12-22-19;/h9,12,15-19H,6-8,10-11,14H2,1-5H3;4,7,9-12H,2-3,5-6H2,1H3;/q2*-1;.

What are the key properties of [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 914.75 g/mol, XLogP of 11.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 155612354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).