2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine

C138H92Ir4N15O3S2Si-6 — CID 161029733

IUPAC2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCC(C)c1cc[c-]c(N2[CH-]N(C)c3ccccc32)c1.[Ir+3].[Ir].[Ir].[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1noc2ccccc12.[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(-c4ccncc4)cc32)c1-c1ccccn1.[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ncccc1-c1noc2ccccc12.[c-]1ncccc1-c1nsc2ccccc12.[c-]1ncccc1-c1nsc2ccccc12
InChIInChI=1S/C27H18N3Si.C22H13N2O.C21H12NO.C17H18N2.C15H10N.C12H7N2O.2C12H7N2S.4Ir/c1-2-14-24-20(10-1)21-11-9-12-22(23-13-3-6-17-28-23)27(21)31(24,25-15-4-7-18-29-25)26-16-5-8-19-30-26;1-2-11-24-20(6-1)18-5-3-4-17-19-14-16(15-9-12-23-13-10-15)7-8-21(19)25-22(17)18;1-2-6-17-14(5-1)9-10-15-13-16(11-12-18(15)17)21-19-7-3-4-8-20(19)23-22-21;1-13(2)14-7-6-8-15(11-14)19-12-18(3)16-9-4-5-10-17(16)19;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;3*1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;/h1-11,13-19H;1-4,6-14H;1-10,12-13H;4-7,9-13H,1-3H3;1-8,10-11H;3*1-7H;;;;/q3*-1;-2;4*-1;;;;+3
InChIKeyFTKFVJLBYHLDDI-UHFFFAOYSA-N
MW2869.44 g/mol
LogP30.82
Rot. Bonds12

About 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine

2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 161029733) has the molecular formula C138H92Ir4N15O3S2Si-6 and a molecular weight of 2869.44 g/mol. Its IUPAC name is 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

Compound Name2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine
PubChem CID161029733
Molecular FormulaC138H92Ir4N15O3S2Si-6
Molecular Weight2869.44 g/mol
Exact Mass2870.53
IUPAC Name2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCC(C)c1cc[c-]c(N2[CH-]N(C)c3ccccc32)c1.[Ir+3].[Ir].[Ir].[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1noc2ccccc12.[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(-c4ccncc4)cc32)c1-c1ccccn1.[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ncccc1-c1noc2ccccc12.[c-]1ncccc1-c1nsc2ccccc12.[c-]1ncccc1-c1nsc2ccccc12
InChIInChI=1S/C27H18N3Si.C22H13N2O.C21H12NO.C17H18N2.C15H10N.C12H7N2O.2C12H7N2S.4Ir/c1-2-14-24-20(10-1)21-11-9-12-22(23-13-3-6-17-28-23)27(21)31(24,25-15-4-7-18-29-25)26-16-5-8-19-30-26;1-2-11-24-20(6-1)18-5-3-4-17-19-14-16(15-9-12-23-13-10-15)7-8-21(19)25-22(17)18;1-2-6-17-14(5-1)9-10-15-13-16(11-12-18(15)17)21-19-7-3-4-8-20(19)23-22-21;1-13(2)14-7-6-8-15(11-14)19-12-18(3)16-9-4-5-10-17(16)19;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;3*1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;/h1-11,13-19H;1-4,6-14H;1-10,12-13H;4-7,9-13H,1-3H3;1-8,10-11H;3*1-7H;;;;/q3*-1;-2;4*-1;;;;+3
InChIKeyFTKFVJLBYHLDDI-UHFFFAOYSA-N
XLogP30.82
TPSA213.47 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002869.44
LogP ≤ 530.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The IUPAC name of 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 161029733) is 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine.
What is the SMILES notation for 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The canonical SMILES for 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine is CC(C)c1cc[c-]c(N2[CH-]N(C)c3ccccc32)c1.[Ir+3].[Ir].[Ir].[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1noc2ccccc12.[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(-c4ccncc4)cc32)c1-c1ccccn1.[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ncccc1-c1noc2ccccc12.[c-]1ncccc1-c1nsc2ccccc12.[c-]1ncccc1-c1nsc2ccccc12.
What is the InChIKey of 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The InChIKey is FTKFVJLBYHLDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N3Si.C22H13N2O.C21H12NO.C17H18N2.C15H10N.C12H7N2O.2C12H7N2S.4Ir/c1-2-14-24-20(10-1)21-11-9-12-22(23-13-3-6-17-28-23)27(21)31(24,25-15-4-7-18-29-25)26-16-5-8-19-30-26;1-2-11-24-20(6-1)18-5-3-4-17-19-14-16(15-9-12-23-13-10-15)7-8-21(19)25-22(17)18;1-2-6-17-14(5-1)9-10-15-13-16(11-12-18(15)17)21-19-7-3-4-8-20(19)23-22-21;1-13(2)14-7-6-8-15(11-14)19-12-18(3)16-9-4-5-10-17(16)19;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;3*1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;/h1-11,13-19H;1-4,6-14H;1-10,12-13H;4-7,9-13H,1-3H3;1-8,10-11H;3*1-7H;;;;/q3*-1;-2;4*-1;;;;+3.
What are the key properties of 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 2869.44 g/mol, XLogP of 30.82, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dipyridin-2-yl-3H-benzo[b][1]benzosilol-3-id-5-yl)pyridine;tris(iridium);iridium(3+);1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;2-(2H-naphthalen-2-id-1-yl)pyridine;3-(3H-phenanthren-3-id-2-yl)-1,2-benzoxazole;bis(3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole);3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;2-(8-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 161029733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).