2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)

C122H79N15O8Pt5SU — CID 159619644

IUPAC2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(-c4ncco4)ccc3)ccc2)c(C)c1-c1ccccc1.[H]/[C-]=C/N=[C-]/c1[c-]c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[U+2].[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1nccs1
InChIInChI=1S/C26H19N3O2.2C24H15N3O2.C24H15N3OS.C24H15N3O.5Pt.U/c1-18-25(20-8-4-3-5-9-20)19(2)29(28-18)22-11-7-13-24(17-22)31-23-12-6-10-21(16-23)26-27-14-15-30-26;2*1-2-6-18(7-3-1)20-16-26-27(17-20)21-9-5-11-23(15-21)29-22-10-4-8-19(14-22)24-25-12-13-28-24;1-2-6-18(7-3-1)20-16-26-27(17-20)21-9-5-11-23(15-21)28-22-10-4-8-19(14-22)24-25-12-13-29-24;1-2-25-16-19-8-6-12-23(14-19)28-24-13-7-11-22(15-24)27-18-21(17-26-27)20-9-4-3-5-10-20;;;;;;/h3-15H,1-2H3;3*1-13,16-17H;1-13,17-18H;;;;;;/q4*-2;-4;6*+2
InChIKeyFIFFGCDYNAORLG-UHFFFAOYSA-N
MW3128.56 g/mol
LogP28.60
Rot. Bonds26

About 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)

2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+) (PubChem CID 159619644) has the molecular formula C122H79N15O8Pt5SU and a molecular weight of 3128.56 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+).

Molecular Properties

Compound Name2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)
PubChem CID159619644
Molecular FormulaC122H79N15O8Pt5SU
Molecular Weight3128.56 g/mol
Exact Mass3126.47
IUPAC Name2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(-c4ncco4)ccc3)ccc2)c(C)c1-c1ccccc1.[H]/[C-]=C/N=[C-]/c1[c-]c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[U+2].[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1nccs1
InChIInChI=1S/C26H19N3O2.2C24H15N3O2.C24H15N3OS.C24H15N3O.5Pt.U/c1-18-25(20-8-4-3-5-9-20)19(2)29(28-18)22-11-7-13-24(17-22)31-23-12-6-10-21(16-23)26-27-14-15-30-26;2*1-2-6-18(7-3-1)20-16-26-27(17-20)21-9-5-11-23(15-21)29-22-10-4-8-19(14-22)24-25-12-13-28-24;1-2-6-18(7-3-1)20-16-26-27(17-20)21-9-5-11-23(15-21)28-22-10-4-8-19(14-22)24-25-12-13-29-24;1-2-25-16-19-8-6-12-23(14-19)28-24-13-7-11-22(15-24)27-18-21(17-26-27)20-9-4-3-5-10-20;;;;;;/h3-15H,1-2H3;3*1-13,16-17H;1-13,17-18H;;;;;;/q4*-2;-4;6*+2
InChIKeyFIFFGCDYNAORLG-UHFFFAOYSA-N
XLogP28.60
TPSA238.59 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003128.56
LogP ≤ 528.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)?
The IUPAC name of 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+) (CID 159619644) is 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+).
What is the SMILES notation for 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)?
The canonical SMILES for 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c(-c4ncco4)ccc3)ccc2)c(C)c1-c1ccccc1.[H]/[C-]=C/N=[C-]/c1[c-]c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[U+2].[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2)cccc1-c1nccs1.
What is the InChIKey of 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)?
The InChIKey is FIFFGCDYNAORLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2.2C24H15N3O2.C24H15N3OS.C24H15N3O.5Pt.U/c1-18-25(20-8-4-3-5-9-20)19(2)29(28-18)22-11-7-13-24(17-22)31-23-12-6-10-21(16-23)26-27-14-15-30-26;2*1-2-6-18(7-3-1)20-16-26-27(17-20)21-9-5-11-23(15-21)29-22-10-4-8-19(14-22)24-25-12-13-28-24;1-2-6-18(7-3-1)20-16-26-27(17-20)21-9-5-11-23(15-21)28-22-10-4-8-19(14-22)24-25-12-13-29-24;1-2-25-16-19-8-6-12-23(14-19)28-24-13-7-11-22(15-24)27-18-21(17-26-27)20-9-4-3-5-10-20;;;;;;/h3-15H,1-2H3;3*1-13,16-17H;1-13,17-18H;;;;;;/q4*-2;-4;6*+2.
What are the key properties of 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+)?
2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+) has a molecular weight of 3128.56 g/mol, XLogP of 28.60, 26 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole;N-ethenyl-1-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methanimine;bis(2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-oxazole);2-[3-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-thiazole;pentakis(platinum(2+));uranium(2+) is sourced from PubChem (CID 159619644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).