benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide

C103H87BrCl2IN14Pt2S5- — CID 158942056

About benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide

benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide (PubChem CID 158942056) has the molecular formula C103H87BrCl2IN14Pt2S5- and a molecular weight of 2349.13 g/mol. Its IUPAC name is benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide.

Molecular Properties

• Compound Name: benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide
• PubChem CID: 158942056
• Molecular Formula: C103H87BrCl2IN14Pt2S5-
• Molecular Weight: 2349.13 g/mol
• Exact Mass: 2345.27
• IUPAC Name: benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide
• SMILES: Brc1ccc2sc3ccccc3c2c1.C.C.C#N.CC(C)(c1ccn(-c2[c-]cc3sc4ccccc4c3c2)n1)c1ccn(-c2[c-]cc3sc4ccccc4c3c2)n1.CC(C)(c1ccn(-c2ccc3sc4ccccc4c3c2)n1)c1ccn(-c2ccc3sc4ccccc4c3c2)n1.CC(C)(c1ccn[nH]1)c1ccn[nH]1.Cl[Pt]Cl.I.N#Cc1ccccc1.[H][H].[Pt+2].[c-]1ccccc1
• InChI: InChI=1S/C33H24N4S2.C33H22N4S2.C12H7BrS.C9H12N4.C7H5N.C6H5.CHN.2CH4.2ClH.HI.2Pt.H2/c2*1-33(2,31-15-17-36(34-31)21-11-13-29-25(19-21)23-7-3-5-9-27(23)38-29)32-16-18-37(35-32)22-12-14-30-26(20-22)24-8-4-6-10-28(24)39-30;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-9(2,7-3-5-10-12-7)8-4-6-11-13-8;8-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1;1-2;;;;;;;;/h3-20H,1-2H3;3-10,13-20H,1-2H3;1-7H;3-6H,1-2H3,(H,10,12)(H,11,13);1-5H;1-5H;1H;2*1H4;3*1H;;;1H/q;-2;;;;-1;;;;;;;2*+2;/p-2
• InChIKey: KWOGEWBFNLPZDC-UHFFFAOYSA-L
• XLogP: 30.81
• TPSA: 176.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2349.13
LogP ≤ 5	30.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide?

The IUPAC name of benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide (CID 158942056) is benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide.

What is the SMILES notation for benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide?

The canonical SMILES for benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide is Brc1ccc2sc3ccccc3c2c1.C.C.C#N.CC(C)(c1ccn(-c2[c-]cc3sc4ccccc4c3c2)n1)c1ccn(-c2[c-]cc3sc4ccccc4c3c2)n1.CC(C)(c1ccn(-c2ccc3sc4ccccc4c3c2)n1)c1ccn(-c2ccc3sc4ccccc4c3c2)n1.CC(C)(c1ccn[nH]1)c1ccn[nH]1.Cl[Pt]Cl.I.N#Cc1ccccc1.[H][H].[Pt+2].[c-]1ccccc1.

What is the InChIKey of benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide?

The InChIKey is KWOGEWBFNLPZDC-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H24N4S2.C33H22N4S2.C12H7BrS.C9H12N4.C7H5N.C6H5.CHN.2CH4.2ClH.HI.2Pt.H2/c2*1-33(2,31-15-17-36(34-31)21-11-13-29-25(19-21)23-7-3-5-9-27(23)38-29)32-16-18-37(35-32)22-12-14-30-26(20-22)24-8-4-6-10-28(24)39-30;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-9(2,7-3-5-10-12-7)8-4-6-11-13-8;8-6-7-4-2-1-3-5-7;1-2-4-6-5-3-1;1-2;;;;;;;;/h3-20H,1-2H3;3-10,13-20H,1-2H3;1-7H;3-6H,1-2H3,(H,10,12)(H,11,13);1-5H;1-5H;1H;2*1H4;3*1H;;;1H/q;-2;;;;-1;;;;;;;2*+2;/p-2.

What are the key properties of benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide?

benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide has a molecular weight of 2349.13 g/mol, XLogP of 30.81, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;benzonitrile;2-bromodibenzothiophene;1-(3H-dibenzothiophen-3-id-2-yl)-3-[2-[1-(3H-dibenzothiophen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-dibenzothiophen-2-yl-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;dichloroplatinum;formonitrile;methane;molecular hydrogen;platinum(2+);5-[2-(1H-pyrazol-5-yl)propan-2-yl]-1H-pyrazole;hydroiodide is sourced from PubChem (CID 158942056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).