bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)

C136H104Ir2N13-4 — CID 157361743

About bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)

bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) (PubChem CID 157361743) has the molecular formula C136H104Ir2N13-4 and a molecular weight of 2304.85 g/mol. Its IUPAC name is bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole).

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
• PubChem CID: 157361743
• Molecular Formula: C136H104Ir2N13-4
• Molecular Weight: 2304.85 g/mol
• Exact Mass: 2304.78
• IUPAC Name: bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
• SMILES: CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cn1ccnc1-c1[c-]ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.[Ir+3].[Ir].[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
• InChI: InChI=1S/C28H20N3.2C23H19N2.2C21H15N2.C20H16N2.2Ir/c1-30-17-16-29-28(30)22-9-7-8-20(18-22)21-14-15-25-24-12-5-6-13-26(24)31(27(25)19-21)23-10-3-2-4-11-23;2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-21-15-22(20-13-6-5-12-19(20)21)18-11-7-10-17(14-18)16-8-3-2-4-9-16;;/h2-8,10-19H,1H3;2*3-11,13-16H,1-2H3;2*1-9,11-16H;2-10,12-15H,1H3;;/q5*-1;-2;;+3
• InChIKey: BDLVNRGBZDRHBW-UHFFFAOYSA-N
• XLogP: 32.77
• TPSA: 100.51 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2304.85
LogP ≤ 5	32.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The IUPAC name of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) (CID 157361743) is bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole).

What is the SMILES notation for bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The canonical SMILES for bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) is CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cn1ccnc1-c1[c-]ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.[Ir+3].[Ir].[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.

What is the InChIKey of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The InChIKey is BDLVNRGBZDRHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N3.2C23H19N2.2C21H15N2.C20H16N2.2Ir/c1-30-17-16-29-28(30)22-9-7-8-20(18-22)21-14-15-25-24-12-5-6-13-26(24)31(27(25)19-21)23-10-3-2-4-11-23;2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-21-15-22(20-13-6-5-12-19(20)21)18-11-7-10-17(14-18)16-8-3-2-4-9-16;;/h2-8,10-19H,1H3;2*3-11,13-16H,1-2H3;2*1-9,11-16H;2-10,12-15H,1H3;;/q5*-1;-2;;+3.

What are the key properties of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) has a molecular weight of 2304.85 g/mol, XLogP of 32.77, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) is sourced from PubChem (CID 157361743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).