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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)

C128H102Ir4N16O-8 — CID 158227285

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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1cc[c-]c(-n2cccn2)c1.Cc1cc(C)n(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/2C23H19N2.C21H13N2O.C21H15N2.2C11H11N2.2C9H7N2.4Ir/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;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;2*1-2-5-9(6-3-1)11-8-4-7-10-11;;;;/h3-10,12-16H,1-2H3;3-9,11-16H,1-2H3;1-5,7-14H;1-8,10-16H;2*3-6,8H,1-2H3;2*1-5,7-8H;;;;/q8*-1;;;;
InChIKeyMWIOTOJLNHBVDJ-UHFFFAOYSA-N
MW2649.20 g/mol
LogP29.41
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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)

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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole) (PubChem CID 158227285) has the molecular formula C128H102Ir4N16O-8 and a molecular weight of 2649.20 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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole).

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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)
PubChem CID158227285
Molecular FormulaC128H102Ir4N16O-8
Molecular Weight2649.20 g/mol
Exact Mass2650.70
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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1cc[c-]c(-n2cccn2)c1.Cc1cc(C)n(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/2C23H19N2.C21H13N2O.C21H15N2.2C11H11N2.2C9H7N2.4Ir/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;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;2*1-2-5-9(6-3-1)11-8-4-7-10-11;;;;/h3-10,12-16H,1-2H3;3-9,11-16H,1-2H3;1-5,7-14H;1-8,10-16H;2*3-6,8H,1-2H3;2*1-5,7-8H;;;;/q8*-1;;;;
InChIKeyMWIOTOJLNHBVDJ-UHFFFAOYSA-N
XLogP29.41
TPSA155.70 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms149
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002649.20
LogP ≤ 529.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole) 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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)?
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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole) (CID 158227285) 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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole).
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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)?
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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole) is Cc1cc(-c2ccccc2)cc(C)c1-c1cc[c-]c(-n2cccn2)c1.Cc1cc(C)n(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-n1cccn1.[c-]1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.
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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)?
The InChIKey is MWIOTOJLNHBVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19N2.C21H13N2O.C21H15N2.2C11H11N2.2C9H7N2.4Ir/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;2*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;2*1-2-5-9(6-3-1)11-8-4-7-10-11;;;;/h3-10,12-16H,1-2H3;3-9,11-16H,1-2H3;1-5,7-14H;1-8,10-16H;2*3-6,8H,1-2H3;2*1-5,7-8H;;;;/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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole)?
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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole) has a molecular weight of 2649.20 g/mol, XLogP of 29.41, 15 rotatable bonds, 0 hydrogen bond donors, and 17 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;bis(3,5-dimethyl-1-phenylpyrazole);tetrakis(iridium);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;bis(1-phenylpyrazole) is sourced from PubChem (CID 158227285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).