3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+)

C60H73IrN4 — CID 140789936

About 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+)

3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+) (PubChem CID 140789936) has the molecular formula C60H73IrN4 and a molecular weight of 1042.49 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+).

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+)
• PubChem CID: 140789936
• Molecular Formula: C60H73IrN4
• Molecular Weight: 1042.49 g/mol
• Exact Mass: 1042.55
• IUPAC Name: 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+)
• SMILES: CN1[CH-]N(c2[c-]cc3c(c2)C(C)(C)C(C)(C)C3(C)C)c2cc3c(cc21)C(C)(C)CCC3(C)C.Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C.[Ir+3]
• InChI: InChI=1S/C31H42N2.C29H31N2.Ir/c1-27(2)14-15-28(3,4)23-18-26-25(17-22(23)27)32(11)19-33(26)20-12-13-21-24(16-20)30(7,8)31(9,10)29(21,5)6;1-19-11-10-12-20(2)26(19)31-25-18-23-22(28(3,4)15-16-29(23,5)6)17-24(25)30-27(31)21-13-8-7-9-14-21;/h13,16-19H,14-15H2,1-11H3;7-13,17-18H,15-16H2,1-6H3;/q-2;-1;+3
• InChIKey: HSPPRDHQTXJAHB-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1042.49
LogP ≤ 5	15.59
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-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+)?

The IUPAC name of 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+) (CID 140789936) is 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+).

What is the SMILES notation for 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+)?

The canonical SMILES for 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+) is CN1[CH-]N(c2[c-]cc3c(c2)C(C)(C)C(C)(C)C3(C)C)c2cc3c(cc21)C(C)(C)CCC3(C)C.Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C.[Ir+3].

What is the InChIKey of 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+)?

The InChIKey is HSPPRDHQTXJAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2.C29H31N2.Ir/c1-27(2)14-15-28(3,4)23-18-26-25(17-22(23)27)32(11)19-33(26)20-12-13-21-24(16-20)30(7,8)31(9,10)29(21,5)6;1-19-11-10-12-20(2)26(19)31-25-18-23-22(28(3,4)15-16-29(23,5)6)17-24(25)30-27(31)21-13-8-7-9-14-21;/h13,16-19H,14-15H2,1-11H3;7-13,17-18H,15-16H2,1-6H3;/q-2;-1;+3.

What are the key properties of 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+)?

3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+) has a molecular weight of 1042.49 g/mol, XLogP of 15.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethylphenyl)-5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f]benzimidazole;3-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-1,5,5,8,8-pentamethyl-6,7-dihydro-2H-benzo[f]benzimidazol-2-ide;iridium(3+) is sourced from PubChem (CID 140789936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).