[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C51H65GeIrN3O-2 — CID 167331736

About [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 167331736) has the molecular formula C51H65GeIrN3O-2 and a molecular weight of 1000.93 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 167331736
• Molecular Formula: C51H65GeIrN3O-2
• Molecular Weight: 1000.93 g/mol
• Exact Mass: 1002.40
• IUPAC Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)c(C(C)C)cn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C28H31N2O.C23H34GeN.Ir/c1-17(2)24-16-29-26(15-20(24)14-19-8-5-6-9-19)23-11-7-10-21-22-12-13-25(18(3)4)30-28(22)31-27(21)23;1-22(2,3)15-18-14-21(25-16-20(18)24(7,8)9)17-11-10-12-19(13-17)23(4,5)6;/h7,10,12-13,15-19H,5-6,8-9,14H2,1-4H3;10,12-14,16H,15H2,1-9H3;/q2*-1
• InChIKey: RPCVOMXKQJGIIR-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.93
LogP ≤ 5	13.80
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-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 167331736) is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-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-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is CC(C)(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)c(C(C)C)cn3)[c-]ccc12.[Ir].

What is the InChIKey of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is RPCVOMXKQJGIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N2O.C23H34GeN.Ir/c1-17(2)24-16-29-26(15-20(24)14-19-8-5-6-9-19)23-11-7-10-21-22-12-13-25(18(3)4)30-28(22)31-27(21)23;1-22(2,3)15-18-14-21(25-16-20(18)24(7,8)9)17-11-10-12-19(13-17)23(4,5)6;/h7,10,12-13,15-19H,5-6,8-9,14H2,1-4H3;10,12-14,16H,15H2,1-9H3;/q2*-1;.

What are the key properties of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1000.93 g/mol, XLogP of 13.80, 8 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-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 167331736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).