3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C62H55GeIrN3O-2 — CID 156658147

About 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156658147) has the molecular formula C62H55GeIrN3O-2 and a molecular weight of 1123.98 g/mol. Its IUPAC name is 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 156658147
• Molecular Formula: C62H55GeIrN3O-2
• Molecular Weight: 1123.98 g/mol
• Exact Mass: 1125.33
• IUPAC Name: 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2cc3ccccc3cc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C45H33N2O.C17H22GeN.Ir/c1-45(2,3)38-23-13-20-34(30-16-8-5-9-17-30)42(38)47-40-27-32-19-11-10-18-31(32)26-39(40)46-44(47)37-22-12-21-36-35-25-24-33(28-41(35)48-43(36)37)29-14-6-4-7-15-29;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h4-21,23-28H,1-3H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: GIIKLABKPCADHK-LTBAMTPYSA-N
• XLogP: 16.39
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.98
LogP ≤ 5	16.39
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 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 156658147) is 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2cc3ccccc3cc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is GIIKLABKPCADHK-LTBAMTPYSA-N. The full InChI is InChI=1S/C45H33N2O.C17H22GeN.Ir/c1-45(2,3)38-23-13-20-34(30-16-8-5-9-17-30)42(38)47-40-27-32-19-11-10-18-31(32)26-39(40)46-44(47)37-22-12-21-36-35-25-24-33(28-41(35)48-43(36)37)29-14-6-4-7-15-29;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h4-21,23-28H,1-3H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.

What are the key properties of 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1123.98 g/mol, XLogP of 16.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156658147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).