[6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C44H42GeIrN4O-2 — CID 156671630

About [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156671630) has the molecular formula C44H42GeIrN4O-2 and a molecular weight of 908.68 g/mol. Its IUPAC name is [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156671630
• Molecular Formula: C44H42GeIrN4O-2
• Molecular Weight: 908.68 g/mol
• Exact Mass: 910.23
• IUPAC Name: [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C)cccc3C)[c-]ccc12.[2H]C(C)(C)c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C27H20N3O.C17H22GeN.Ir/c1-16-8-6-9-17(2)24(16)30-23-13-5-4-12-22(23)29-26(30)21-11-7-10-19-20-15-14-18(3)28-27(20)31-25(19)21;1-13(2)14-6-8-15(9-7-14)17-11-10-16(12-19-17)18(3,4)5;/h4-10,12-15H,1-3H3;6-8,10-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: CULSTDOEHFNVPN-LTBAMTPYSA-N
• XLogP: 10.93
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.68
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156671630) is [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

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

The canonical SMILES for [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C)cccc3C)[c-]ccc12.[2H]C(C)(C)c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is CULSTDOEHFNVPN-LTBAMTPYSA-N. The full InChI is InChI=1S/C27H20N3O.C17H22GeN.Ir/c1-16-8-6-9-17(2)24(16)30-23-13-5-4-12-22(23)29-26(30)21-11-7-10-19-20-15-14-18(3)28-27(20)31-25(19)21;1-13(2)14-6-8-15(9-7-14)17-11-10-16(12-19-17)18(3,4)5;/h4-10,12-15H,1-3H3;6-8,10-13H,1-5H3;/q2*-1;/i;13D;.

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

[6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 908.68 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156671630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).