tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)

C133H104Ir3N15O — CID 159800708

About tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)

tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) (PubChem CID 159800708) has the molecular formula C133H104Ir3N15O and a molecular weight of 2505.05 g/mol. Its IUPAC name is tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole).

Molecular Properties

• Compound Name: tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
• PubChem CID: 159800708
• Molecular Formula: C133H104Ir3N15O
• Molecular Weight: 2505.05 g/mol
• Exact Mass: 2505.74
• IUPAC Name: tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
• SMILES: CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
• InChI: InChI=1S/C39H26N2.2C21H15N2.3C11H11N2.C10H9N2.C9H6NO.3Ir/c1-40-25-41(38-17-9-8-16-37(38)40)28-21-18-26(19-22-28)27-20-23-32-31-12-4-7-15-35(31)39(36(32)24-27)33-13-5-2-10-29(33)30-11-3-6-14-34(30)39;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;3*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h2-21,23-25H,1H3;2*1-9,11-16H;3*3-6,8H,1-2H3;2-5,7-8H,1H3;1-4,6-7H;;;/q-2;7*-1;3*+3
• InChIKey: JWPYEFFWVXDOFI-UHFFFAOYSA-N
• XLogP: 30.11
• TPSA: 139.43 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2505.05
LogP ≤ 5	30.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The IUPAC name of tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) (CID 159800708) is tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole).

What is the SMILES notation for tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The canonical SMILES for tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) is CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.

What is the InChIKey of tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The InChIKey is JWPYEFFWVXDOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2.2C21H15N2.3C11H11N2.C10H9N2.C9H6NO.3Ir/c1-40-25-41(38-17-9-8-16-37(38)40)28-21-18-26(19-22-28)27-20-23-32-31-12-4-7-15-35(31)39(36(32)24-27)33-13-5-2-10-29(33)30-11-3-6-14-34(30)39;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;3*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h2-21,23-25H,1H3;2*1-9,11-16H;3*3-6,8H,1-2H3;2-5,7-8H,1H3;1-4,6-7H;;;/q-2;7*-1;3*+3.

What are the key properties of tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) has a molecular weight of 2505.05 g/mol, XLogP of 30.11, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) is sourced from PubChem (CID 159800708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).