1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)

C133H100Ir4N12O-8 — CID 158216868

IUPAC1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[c-]c(-n2cccn2)c1.Cc1cc(C)n(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-n1cccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C23H19N2.C21H13N2O.C21H15N2.C12H10N.3C11H8N.4Ir/c1-17-14-21(19-8-4-3-5-9-19)15-18(2)23(17)20-10-6-11-22(16-20)25-13-7-12-24-25;1-17-15-18(2)25(24-17)23-10-6-9-22(16-23)21-13-11-20(12-14-21)19-7-4-3-5-8-19;1-2-8-20-18(7-1)19-10-9-16(14-21(19)24-20)15-5-3-6-17(13-15)23-12-4-11-22-23;1-2-6-17(7-3-1)18-10-12-19(13-11-18)20-8-4-9-21(16-20)23-15-5-14-22-23;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-10,12-16H,1-2H3;3-9,11-16H,1-2H3;1-5,7-14H;1-8,10-16H;2-7,9H,1H3;3*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyFXCJIAJJTSJELM-UHFFFAOYSA-N
MW2651.21 g/mol
LogP31.99
Rot. Bonds15

About 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)

1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) (PubChem CID 158216868) has the molecular formula C133H100Ir4N12O-8 and a molecular weight of 2651.21 g/mol. Its IUPAC name is 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine).

Molecular Properties

Compound Name1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)
PubChem CID158216868
Molecular FormulaC133H100Ir4N12O-8
Molecular Weight2651.21 g/mol
Exact Mass2652.67
IUPAC Name1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[c-]c(-n2cccn2)c1.Cc1cc(C)n(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-n1cccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C23H19N2.C21H13N2O.C21H15N2.C12H10N.3C11H8N.4Ir/c1-17-14-21(19-8-4-3-5-9-19)15-18(2)23(17)20-10-6-11-22(16-20)25-13-7-12-24-25;1-17-15-18(2)25(24-17)23-10-6-9-22(16-23)21-13-11-20(12-14-21)19-7-4-3-5-8-19;1-2-8-20-18(7-1)19-10-9-16(14-21(19)24-20)15-5-3-6-17(13-15)23-12-4-11-22-23;1-2-6-17(7-3-1)18-10-12-19(13-11-18)20-8-4-9-21(16-20)23-15-5-14-22-23;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-10,12-16H,1-2H3;3-9,11-16H,1-2H3;1-5,7-14H;1-8,10-16H;2-7,9H,1H3;3*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyFXCJIAJJTSJELM-UHFFFAOYSA-N
XLogP31.99
TPSA135.98 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms150
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002651.21
LogP ≤ 531.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)?
The IUPAC name of 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) (CID 158216868) is 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine).
What is the SMILES notation for 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)?
The canonical SMILES for 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) is Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[c-]c(-n2cccn2)c1.Cc1cc(C)n(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-n1cccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)?
The InChIKey is FXCJIAJJTSJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19N2.C21H13N2O.C21H15N2.C12H10N.3C11H8N.4Ir/c1-17-14-21(19-8-4-3-5-9-19)15-18(2)23(17)20-10-6-11-22(16-20)25-13-7-12-24-25;1-17-15-18(2)25(24-17)23-10-6-9-22(16-23)21-13-11-20(12-14-21)19-7-4-3-5-8-19;1-2-8-20-18(7-1)19-10-9-16(14-21(19)24-20)15-5-3-6-17(13-15)23-12-4-11-22-23;1-2-6-17(7-3-1)18-10-12-19(13-11-18)20-8-4-9-21(16-20)23-15-5-14-22-23;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-10,12-16H,1-2H3;3-9,11-16H,1-2H3;1-5,7-14H;1-8,10-16H;2-7,9H,1H3;3*1-6,8-9H;;;;/q8*-1;;;;.
What are the key properties of 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)?
1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) has a molecular weight of 2651.21 g/mol, XLogP of 31.99, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;3,5-dimethyl-1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine) is sourced from PubChem (CID 158216868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).