4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))

C125H92N16OPt4S-6 — CID 158057028

IUPAC4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))
SMILESCC1=C(c2ccc(-c3ccccc3)cc2)N(C)[CH-]N1c1[c-]cccc1.CN1[CH-]N(c2[c-]cccc2)C=C1c1ccc(-c2ccccc2)cc1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(-c2[c-]cccc2)[n-]n1.[Pt+4].[Pt+4].[Pt].[Pt].[c-]1ccccc1-c1ncc[n-]1.[c-]1ccccc1-c1ncc[n-]1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)oc2ccccc23)cn1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)sc2ccccc23)cn1
InChIInChI=1S/C23H20N2.C22H18N2.C21H13N2O.C21H13N2S.2C10H8N2.2C9H6N2.4Pt/c1-18-23(24(2)17-25(18)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-23-17-24(21-10-6-3-7-11-21)16-22(23)20-14-12-19(13-15-20)18-8-4-2-5-9-18;2*1-2-6-17(7-3-1)23-14-16(13-22-23)15-10-11-19-18-8-4-5-9-20(18)24-21(19)12-15;2*1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h3-11,13-17H,1-2H3;2-10,12-17H,1H3;2*1-6,8-14H;2*2-5,7H,1H3;2*1-4,6-7H;;;;/q2*-2;2*-1;4*-2;;;2*+4
InChIKeyOMLNOXXIIMEXCI-UHFFFAOYSA-N
MW2646.60 g/mol
LogP28.01
Rot. Bonds14

About 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))

4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+)) (PubChem CID 158057028) has the molecular formula C125H92N16OPt4S-6 and a molecular weight of 2646.60 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+)).

Molecular Properties

Compound Name4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))
PubChem CID158057028
Molecular FormulaC125H92N16OPt4S-6
Molecular Weight2646.60 g/mol
Exact Mass2644.60
IUPAC Name4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))
SMILESCC1=C(c2ccc(-c3ccccc3)cc2)N(C)[CH-]N1c1[c-]cccc1.CN1[CH-]N(c2[c-]cccc2)C=C1c1ccc(-c2ccccc2)cc1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(-c2[c-]cccc2)[n-]n1.[Pt+4].[Pt+4].[Pt].[Pt].[c-]1ccccc1-c1ncc[n-]1.[c-]1ccccc1-c1ncc[n-]1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)oc2ccccc23)cn1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)sc2ccccc23)cn1
InChIInChI=1S/C23H20N2.C22H18N2.C21H13N2O.C21H13N2S.2C10H8N2.2C9H6N2.4Pt/c1-18-23(24(2)17-25(18)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-23-17-24(21-10-6-3-7-11-21)16-22(23)20-14-12-19(13-15-20)18-8-4-2-5-9-18;2*1-2-6-17(7-3-1)23-14-16(13-22-23)15-10-11-19-18-8-4-5-9-20(18)24-21(19)12-15;2*1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h3-11,13-17H,1-2H3;2-10,12-17H,1H3;2*1-6,8-14H;2*2-5,7H,1H3;2*1-4,6-7H;;;;/q2*-2;2*-1;4*-2;;;2*+4
InChIKeyOMLNOXXIIMEXCI-UHFFFAOYSA-N
XLogP28.01
TPSA169.70 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002646.60
LogP ≤ 528.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))?
The IUPAC name of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+)) (CID 158057028) is 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+)).
What is the SMILES notation for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))?
The canonical SMILES for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+)) is CC1=C(c2ccc(-c3ccccc3)cc2)N(C)[CH-]N1c1[c-]cccc1.CN1[CH-]N(c2[c-]cccc2)C=C1c1ccc(-c2ccccc2)cc1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(-c2[c-]cccc2)[n-]n1.[Pt+4].[Pt+4].[Pt].[Pt].[c-]1ccccc1-c1ncc[n-]1.[c-]1ccccc1-c1ncc[n-]1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)oc2ccccc23)cn1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)sc2ccccc23)cn1.
What is the InChIKey of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))?
The InChIKey is OMLNOXXIIMEXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2.C22H18N2.C21H13N2O.C21H13N2S.2C10H8N2.2C9H6N2.4Pt/c1-18-23(24(2)17-25(18)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-23-17-24(21-10-6-3-7-11-21)16-22(23)20-14-12-19(13-15-20)18-8-4-2-5-9-18;2*1-2-6-17(7-3-1)23-14-16(13-22-23)15-10-11-19-18-8-4-5-9-20(18)24-21(19)12-15;2*1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h3-11,13-17H,1-2H3;2-10,12-17H,1H3;2*1-6,8-14H;2*2-5,7H,1H3;2*1-4,6-7H;;;;/q2*-2;2*-1;4*-2;;;2*+4.
What are the key properties of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+))?
4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+)) has a molecular weight of 2646.60 g/mol, XLogP of 28.01, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide;3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);bis(2-phenylimidazol-3-ide);platinum;bis(platinum(4+)) is sourced from PubChem (CID 158057028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).