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

C47H57GeIrN3O-2 — CID 155610746

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

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 155610746) has the molecular formula C47H57GeIrN3O-2 and a molecular weight of 944.82 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 155610746
• Molecular Formula: C47H57GeIrN3O-2
• Molecular Weight: 944.82 g/mol
• Exact Mass: 946.34
• IUPAC Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C25H25N2O.C22H32GeN.Ir/c1-16-11-12-20-19-9-6-10-21(23(19)28-24(20)27-16)22-15-18(13-14-26-22)25(2,3)17-7-4-5-8-17;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;/h6,9,11-15,17H,4-5,7-8H2,1-3H3;9,11,13-16H,12H2,1-8H3;/q2*-1
• InChIKey: VKSZIFASKCLELL-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.82
LogP ≤ 5	12.21
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-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 155610746) is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

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

The canonical SMILES for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is CC(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]ccc12.[Ir].

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

The InChIKey is VKSZIFASKCLELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2O.C22H32GeN.Ir/c1-16-11-12-20-19-9-6-10-21(23(19)28-24(20)27-16)22-15-18(13-14-26-22)25(2,3)17-7-4-5-8-17;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;/h6,9,11-15,17H,4-5,7-8H2,1-3H3;9,11,13-16H,12H2,1-8H3;/q2*-1;.

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

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 944.82 g/mol, XLogP of 12.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 155610746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).