CID 158437520

C111H72N15O2Pt4S2- — CID 158437520

About CID 158437520

CID 158437520 (PubChem CID 158437520) has the molecular formula C111H72N15O2Pt4S2- and a molecular weight of 2492.35 g/mol.

Molecular Properties

• Compound Name: CID 158437520
• PubChem CID: 158437520
• Molecular Formula: C111H72N15O2Pt4S2-
• Molecular Weight: 2492.35 g/mol
• Exact Mass: 2490.40
• IUPAC Name: —
• SMILES: C(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2nccs2)cccc1N(c1ccccc1)c1cccc(-c2nccs2)n1.[c-]1c2cccc1-c1cccc(n1)Oc1cccc(n1)-c1[c-]c(ccc1)O2.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1
• InChI: InChI=1S/C38H26N6.C28H19N3.C23H15N4S2.C22H12N2O2.4Pt/c1-3-15-29(16-4-1)43-35-23-9-7-19-33(35)41-37(43)25-27-13-11-21-31(39-27)32-22-12-14-28(40-32)26-38-42-34-20-8-10-24-36(34)44(38)30-17-5-2-6-18-30;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-2-7-18(8-3-1)27(19-9-4-6-17(16-19)22-24-12-14-28-22)21-11-5-10-20(26-21)23-25-13-15-29-23;1-5-15-13-17(7-1)25-18-8-2-6-16(14-18)20-10-4-12-22(24-20)26-21-11-3-9-19(15)23-21;;;;/h1-26H;1-12,14,16-21H;1-15H;1-12H;;;;/q2*-2;-1;-2;;3*+2
• InChIKey: ZZYBOWXLKRNTFD-UHFFFAOYSA-N
• XLogP: 29.23
• TPSA: 175.63 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.35
LogP ≤ 5	29.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158437520?

The IUPAC name of CID 158437520 (CID 158437520) is not available.

What is the SMILES notation for CID 158437520?

The canonical SMILES for CID 158437520 is C(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2nccs2)cccc1N(c1ccccc1)c1cccc(-c2nccs2)n1.[c-]1c2cccc1-c1cccc(n1)Oc1cccc(n1)-c1[c-]c(ccc1)O2.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.

What is the InChIKey of CID 158437520?

The InChIKey is ZZYBOWXLKRNTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6.C28H19N3.C23H15N4S2.C22H12N2O2.4Pt/c1-3-15-29(16-4-1)43-35-23-9-7-19-33(35)41-37(43)25-27-13-11-21-31(39-27)32-22-12-14-28(40-32)26-38-42-34-20-8-10-24-36(34)44(38)30-17-5-2-6-18-30;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-2-7-18(8-3-1)27(19-9-4-6-17(16-19)22-24-12-14-28-22)21-11-5-10-20(26-21)23-25-13-15-29-23;1-5-15-13-17(7-1)25-18-8-2-6-16(14-18)20-10-4-12-22(24-20)26-21-11-3-9-19(15)23-21;;;;/h1-26H;1-12,14,16-21H;1-15H;1-12H;;;;/q2*-2;-1;-2;;3*+2.

What are the key properties of CID 158437520?

CID 158437520 has a molecular weight of 2492.35 g/mol, XLogP of 29.23, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158437520 is sourced from PubChem (CID 158437520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).