1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)

C149H131Ir6N12-7 — CID 158894466

About 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)

1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium) (PubChem CID 158894466) has the molecular formula C149H131Ir6N12-7 and a molecular weight of 3243.07 g/mol. Its IUPAC name is 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium).

Molecular Properties

• Compound Name: 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)
• PubChem CID: 158894466
• Molecular Formula: C149H131Ir6N12-7
• Molecular Weight: 3243.07 g/mol
• Exact Mass: 3245.84
• IUPAC Name: 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)
• SMILES: Cc1[c-]c(-n2cccn2)cc(C)c1-c1ccc(-c2ccccc2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1c[c-]c(-n2cccn2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1c[c-]c(N2[CH-]N(C)c3ccccc32)cc1.Cc1cc(C)n(-c2[c-]c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)c2)n1.Cc1cc(C)n(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)n1.Cc1cc(C)n(-c2[c-]ccc(-c3c(C)cc(-c4ccccc4)cc3C)c2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C28H24N2.3C25H23N2.2C23H19N2.6Ir/c1-20-17-24(22-9-5-4-6-10-22)18-21(2)28(20)23-13-15-25(16-14-23)30-19-29(3)26-11-7-8-12-27(26)30;1-17-13-23(21-9-6-5-7-10-21)14-18(2)25(17)22-11-8-12-24(16-22)27-20(4)15-19(3)26-27;1-17-14-23(21-8-6-5-7-9-21)15-18(2)25(17)22-10-12-24(13-11-22)27-20(4)16-19(3)26-27;1-17-14-24(27-20(4)16-19(3)26-27)15-18(2)25(17)23-12-10-22(11-13-23)21-8-6-5-7-9-21;1-17-15-21(19-7-4-3-5-8-19)16-18(2)23(17)20-9-11-22(12-10-20)25-14-6-13-24-25;1-17-15-22(25-14-6-13-24-25)16-18(2)23(17)21-11-9-20(10-12-21)19-7-4-3-5-8-19;;;;;;/h4-15,17-19H,1-3H3;5-11,13-16H,1-4H3;5-12,14-16H,1-4H3;5-14,16H,1-4H3;3-11,13-16H,1-2H3;3-15H,1-2H3;;;;;;/q-2;5*-1
• InChIKey: QNKFHJHHVZTMKA-UHFFFAOYSA-N
• XLogP: 37.10
• TPSA: 95.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3243.07
LogP ≤ 5	37.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)?

The IUPAC name of 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium) (CID 158894466) is 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium).

What is the SMILES notation for 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)?

The canonical SMILES for 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium) is Cc1[c-]c(-n2cccn2)cc(C)c1-c1ccc(-c2ccccc2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1c[c-]c(-n2cccn2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1c[c-]c(N2[CH-]N(C)c3ccccc32)cc1.Cc1cc(C)n(-c2[c-]c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)c2)n1.Cc1cc(C)n(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)n1.Cc1cc(C)n(-c2[c-]ccc(-c3c(C)cc(-c4ccccc4)cc3C)c2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)?

The InChIKey is QNKFHJHHVZTMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2.3C25H23N2.2C23H19N2.6Ir/c1-20-17-24(22-9-5-4-6-10-22)18-21(2)28(20)23-13-15-25(16-14-23)30-19-29(3)26-11-7-8-12-27(26)30;1-17-13-23(21-9-6-5-7-10-21)14-18(2)25(17)22-11-8-12-24(16-22)27-20(4)15-19(3)26-27;1-17-14-23(21-8-6-5-7-9-21)15-18(2)25(17)22-10-12-24(13-11-22)27-20(4)16-19(3)26-27;1-17-14-24(27-20(4)16-19(3)26-27)15-18(2)25(17)23-12-10-22(11-13-23)21-8-6-5-7-9-21;1-17-15-21(19-7-4-3-5-8-19)16-18(2)23(17)20-9-11-22(12-10-20)25-14-6-13-24-25;1-17-15-22(25-14-6-13-24-25)16-18(2)23(17)21-11-9-20(10-12-21)19-7-4-3-5-8-19;;;;;;/h4-15,17-19H,1-3H3;5-11,13-16H,1-4H3;5-12,14-16H,1-4H3;5-14,16H,1-4H3;3-11,13-16H,1-2H3;3-15H,1-2H3;;;;;;/q-2;5*-1;;;;;;.

What are the key properties of 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)?

1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium) has a molecular weight of 3243.07 g/mol, XLogP of 37.10, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium) is sourced from PubChem (CID 158894466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).