9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole

C116H90Ir3N12O4PS — CID 157254713

About 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole

9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole (PubChem CID 157254713) has the molecular formula C116H90Ir3N12O4PS and a molecular weight of 2355.77 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;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole.

Molecular Properties

• Compound Name: 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole
• PubChem CID: 157254713
• Molecular Formula: C116H90Ir3N12O4PS
• Molecular Weight: 2355.77 g/mol
• Exact Mass: 2356.56
• IUPAC Name: 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole
• SMILES: CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)P(=O)(c3ccccc3)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C32H23N2OP.C30H27N3.C26H18N2O2S.C10H9N2.C9H7N2.C9H6NO.3Ir/c1-33-22-34(30-13-7-6-12-29(30)33)25-18-15-23(16-19-25)24-17-20-28-27-11-5-8-14-31(27)36(35,32(28)21-24)26-9-3-2-4-10-26;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;1-27-17-28(24-8-4-3-7-23(24)27)20-13-10-18(11-14-20)19-12-15-22-21-6-2-5-9-25(21)31(29,30)26(22)16-19;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h2-18,20-22H,1H3;5-16,18-20H,1-4H3;2-13,15-17H,1H3;2-5,7-8H,1H3;1-5,7-8H;1-4,6-7H;;;/q3*-2;3*-1;3*+3
• InChIKey: CQPJUZZOARVSBA-UHFFFAOYSA-N
• XLogP: 25.57
• TPSA: 137.25 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.77
LogP ≤ 5	25.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole?

The IUPAC name of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole (CID 157254713) is 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole.

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;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole?

The canonical SMILES for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole is CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)P(=O)(c3ccccc3)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2)c2ccccc21.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole?

The InChIKey is CQPJUZZOARVSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N2OP.C30H27N3.C26H18N2O2S.C10H9N2.C9H7N2.C9H6NO.3Ir/c1-33-22-34(30-13-7-6-12-29(30)33)25-18-15-23(16-19-25)24-17-20-28-27-11-5-8-14-31(27)36(35,32(28)21-24)26-9-3-2-4-10-26;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;1-27-17-28(24-8-4-3-7-23(24)27)20-13-10-18(11-14-20)19-12-15-22-21-6-2-5-9-25(21)31(29,30)26(22)16-19;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h2-18,20-22H,1H3;5-16,18-20H,1-4H3;2-13,15-17H,1H3;2-5,7-8H,1H3;1-5,7-8H;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;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole?

9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole has a molecular weight of 2355.77 g/mol, XLogP of 25.57, 10 rotatable bonds, 0 hydrogen bond donors, and 16 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;tris(iridium(3+));3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole is sourced from PubChem (CID 157254713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).