9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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

C121H95Ir3N12O3S — CID 158347064

About 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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

9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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 (PubChem CID 158347064) has the molecular formula C121H95Ir3N12O3S and a molecular weight of 2373.89 g/mol. Its IUPAC name is 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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.

Molecular Properties

• Compound Name: 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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
• PubChem CID: 158347064
• Molecular Formula: C121H95Ir3N12O3S
• Molecular Weight: 2373.89 g/mol
• Exact Mass: 2374.63
• IUPAC Name: 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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
• SMILES: CN1C=CN(c2[c-]cc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2)[CH-]1.CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1
• InChI: InChI=1S/C39H26N2.C30H27N3.C22H16N2O2S.C11H11N2.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;1-30(2,3)33-26-10-6-5-9-24(26)25-18-15-22(19-29(25)33)21-13-16-23(17-14-21)32-20-31(4)27-11-7-8-12-28(27)32;1-23-12-13-24(15-23)18-9-6-16(7-10-18)17-8-11-20-19-4-2-3-5-21(19)27(25,26)22(20)14-17;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;5-16,18-20H,1-4H3;2-9,11-15H,1H3;3-6,8H,1-2H3;2-5,7-8H,1H3;1-4,6-7H;;;/q3*-2;3*-1;3*+3
• InChIKey: LOWDAVDHRJMQKN-UHFFFAOYSA-N
• XLogP: 27.55
• TPSA: 120.18 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2373.89
LogP ≤ 5	27.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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?

The IUPAC name of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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 (CID 158347064) is 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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.

What is the SMILES notation for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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?

The canonical SMILES for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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 is CN1C=CN(c2[c-]cc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2)[CH-]1.CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.

What is the InChIKey of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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?

The InChIKey is LOWDAVDHRJMQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2.C30H27N3.C22H16N2O2S.C11H11N2.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;1-30(2,3)33-26-10-6-5-9-24(26)25-18-15-22(19-29(25)33)21-13-16-23(17-14-21)32-20-31(4)27-11-7-8-12-28(27)32;1-23-12-13-24(15-23)18-9-6-16(7-10-18)17-8-11-20-19-4-2-3-5-21(19)27(25,26)22(20)14-17;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;5-16,18-20H,1-4H3;2-9,11-15H,1H3;3-6,8H,1-2H3;2-5,7-8H,1H3;1-4,6-7H;;;/q3*-2;3*-1;3*+3.

What are the key properties of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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?

9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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 has a molecular weight of 2373.89 g/mol, XLogP of 27.55, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;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 is sourced from PubChem (CID 158347064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).