4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole

C130H92Ir3N8OSSi-6 — CID 157188033

About 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole

4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole (PubChem CID 157188033) has the molecular formula C130H92Ir3N8OSSi-6 and a molecular weight of 2419.02 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole.

Molecular Properties

• Compound Name: 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole
• PubChem CID: 157188033
• Molecular Formula: C130H92Ir3N8OSSi-6
• Molecular Weight: 2419.02 g/mol
• Exact Mass: 2419.58
• IUPAC Name: 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-c1cc[c-]c(N2[CH-]N(C)c3ccccc32)c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)[Si]1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)ccn1.[c-]1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
• InChI: InChI=1S/C35H25N2Si.C28H24N2.C23H14NO.C23H14NS.C21H15N2.3Ir/c1-23-35(24(2)37(36-23)26-12-4-3-5-13-26)25-20-21-30-29-16-8-11-19-33(29)38(34(30)22-25)31-17-9-6-14-27(31)28-15-7-10-18-32(28)38;1-20-16-24(22-10-5-4-6-11-22)17-21(2)28(20)23-12-9-13-25(18-23)30-19-29(3)26-14-7-8-15-27(26)30;2*1-2-6-16(7-3-1)21-14-18(12-13-24-21)17-10-11-20-19-8-4-5-9-22(19)25-23(20)15-17;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;;;/h3-12,14-22H,1-2H3;4-12,14-19H,1-3H3;2*1-6,8-15H;1-9,11-16H;;;/q-1;-2;3*-1
• InChIKey: PQQFDQRUEURSMB-UHFFFAOYSA-N
• XLogP: 30.14
• TPSA: 81.04 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2419.02
LogP ≤ 5	30.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole?

The IUPAC name of 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole (CID 157188033) is 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole.

What is the SMILES notation for 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole?

The canonical SMILES for 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole is Cc1cc(-c2ccccc2)cc(C)c1-c1cc[c-]c(N2[CH-]N(C)c3ccccc32)c1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)[Si]1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)ccn1.[c-]1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.

What is the InChIKey of 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole?

The InChIKey is PQQFDQRUEURSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N2Si.C28H24N2.C23H14NO.C23H14NS.C21H15N2.3Ir/c1-23-35(24(2)37(36-23)26-12-4-3-5-13-26)25-20-21-30-29-16-8-11-19-33(29)38(34(30)22-25)31-17-9-6-14-27(31)28-15-7-10-18-32(28)38;1-20-16-24(22-10-5-4-6-11-22)17-21(2)28(20)23-12-9-13-25(18-23)30-19-29(3)26-14-7-8-15-27(26)30;2*1-2-6-16(7-3-1)21-14-18(12-13-24-21)17-10-11-20-19-8-4-5-9-22(19)25-23(20)15-17;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;;;/h3-12,14-22H,1-2H3;4-12,14-19H,1-3H3;2*1-6,8-15H;1-9,11-16H;;;/q-1;-2;3*-1;;;.

What are the key properties of 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole?

4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole has a molecular weight of 2419.02 g/mol, XLogP of 30.14, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;tris(iridium);1-phenyl-4-(4-phenylphenyl)pyrazole is sourced from PubChem (CID 157188033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).