4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+))

C63H39N6O2Pt3S2+3 — CID 161361247

About 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+))

4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+)) (PubChem CID 161361247) has the molecular formula C63H39N6O2Pt3S2+3 and a molecular weight of 1561.41 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+)).

Molecular Properties

• Compound Name: 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+))
• PubChem CID: 161361247
• Molecular Formula: C63H39N6O2Pt3S2+3
• Molecular Weight: 1561.41 g/mol
• Exact Mass: 1560.15
• IUPAC Name: 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+))
• SMILES: O=S1c2ccccc2-c2ccc(-c3cnn(-c4[c-]cccc4)c3)cc21.[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-n1cc(-c2ccc3c(c2)oc2ccccc23)cn1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)sc2ccccc23)cn1
• InChI: InChI=1S/C21H13N2OS.C21H13N2O.C21H13N2S.3Pt/c24-25-20-9-5-4-8-18(20)19-11-10-15(12-21(19)25)16-13-22-23(14-16)17-6-2-1-3-7-17;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;;;/h1-6,8-14H;2*1-6,8-14H;;;/q3*-1;3*+2
• InChIKey: JCWPEDLANRZDFC-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 83.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1561.41
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+))?

The IUPAC name of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+)) (CID 161361247) is 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+)).

What is the SMILES notation for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+))?

The canonical SMILES for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+)) is O=S1c2ccccc2-c2ccc(-c3cnn(-c4[c-]cccc4)c3)cc21.[Pt+2].[Pt+2].[Pt+2].[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;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+))?

The InChIKey is JCWPEDLANRZDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N2OS.C21H13N2O.C21H13N2S.3Pt/c24-25-20-9-5-4-8-18(20)19-11-10-15(12-21(19)25)16-13-22-23(14-16)17-6-2-1-3-7-17;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;;;/h1-6,8-14H;2*1-6,8-14H;;;/q3*-1;3*+2.

What are the key properties of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+))?

4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+)) has a molecular weight of 1561.41 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide;tris(platinum(2+)) is sourced from PubChem (CID 161361247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).