CID 159213923

C144H124N18O2Pt5S2 — CID 159213923

About CID 159213923

CID 159213923 (PubChem CID 159213923) has the molecular formula C144H124N18O2Pt5S2 and a molecular weight of 3178.22 g/mol.

Molecular Properties

• Compound Name: CID 159213923
• PubChem CID: 159213923
• Molecular Formula: C144H124N18O2Pt5S2
• Molecular Weight: 3178.22 g/mol
• Exact Mass: 3175.78
• IUPAC Name: —
• SMILES: CC1(C)c2[c-]c(ccc2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccc2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-c2coc(n2)C(C)(C)c2[c-]c(ccc2)-c2coc1n2.CC1(C)c2[c-]c(ccc2)-c2csc(n2)C(C)(C)c2[c-]c(ccc2)-c2csc1n2.CC1(C)c2[c-]c(ccn2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccn2)-c2cn(-c3ccccc3)c1n2.Cn1cc2nc1C(C)(C)c1[c-]c(ccc1)-c1cn(C)c(n1)C(C)(C)c1[c-]c-2ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C36H30N4.C34H28N6.C26H26N4.C24H20N2O2.C24H20N2S2.5Pt/c1-35(2)27-15-11-13-25(21-27)32-24-40(30-19-9-6-10-20-30)34(38-32)36(3,4)28-16-12-14-26(22-28)31-23-39(33(35)37-31)29-17-7-5-8-18-29;1-33(2)29-19-23(15-17-35-29)28-22-40(26-13-9-6-10-14-26)32(38-28)34(3,4)30-20-24(16-18-36-30)27-21-39(31(33)37-27)25-11-7-5-8-12-25;1-25(2)19-11-7-9-17(13-19)22-16-30(6)24(28-22)26(3,4)20-12-8-10-18(14-20)21-15-29(5)23(25)27-21;2*1-23(2)17-9-5-7-15(11-17)20-14-28-22(26-20)24(3,4)18-10-6-8-16(12-18)19-13-27-21(23)25-19;;;;;/h5-20,23-24H,1-4H3;5-18,21-22H,1-4H3;7-12,15-16H,1-6H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2
• InChIKey: GSLWHCISJZGRMV-UHFFFAOYSA-N
• XLogP: 31.81
• TPSA: 210.54 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 4
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3178.22
LogP ≤ 5	31.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 159213923?

The IUPAC name of CID 159213923 (CID 159213923) is not available.

What is the SMILES notation for CID 159213923?

The canonical SMILES for CID 159213923 is CC1(C)c2[c-]c(ccc2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccc2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-c2coc(n2)C(C)(C)c2[c-]c(ccc2)-c2coc1n2.CC1(C)c2[c-]c(ccc2)-c2csc(n2)C(C)(C)c2[c-]c(ccc2)-c2csc1n2.CC1(C)c2[c-]c(ccn2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccn2)-c2cn(-c3ccccc3)c1n2.Cn1cc2nc1C(C)(C)c1[c-]c(ccc1)-c1cn(C)c(n1)C(C)(C)c1[c-]c-2ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of CID 159213923?

The InChIKey is GSLWHCISJZGRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4.C34H28N6.C26H26N4.C24H20N2O2.C24H20N2S2.5Pt/c1-35(2)27-15-11-13-25(21-27)32-24-40(30-19-9-6-10-20-30)34(38-32)36(3,4)28-16-12-14-26(22-28)31-23-39(33(35)37-31)29-17-7-5-8-18-29;1-33(2)29-19-23(15-17-35-29)28-22-40(26-13-9-6-10-14-26)32(38-28)34(3,4)30-20-24(16-18-36-30)27-21-39(31(33)37-27)25-11-7-5-8-12-25;1-25(2)19-11-7-9-17(13-19)22-16-30(6)24(28-22)26(3,4)20-12-8-10-18(14-20)21-15-29(5)23(25)27-21;2*1-23(2)17-9-5-7-15(11-17)20-14-28-22(26-20)24(3,4)18-10-6-8-16(12-18)19-13-27-21(23)25-19;;;;;/h5-20,23-24H,1-4H3;5-18,21-22H,1-4H3;7-12,15-16H,1-6H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2.

What are the key properties of CID 159213923?

CID 159213923 has a molecular weight of 3178.22 g/mol, XLogP of 31.81, 4 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159213923 is sourced from PubChem (CID 159213923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).