CID 157296429

C130H89N20O2Pt5S2-3 — CID 157296429

About CID 157296429

CID 157296429 (PubChem CID 157296429) has the molecular formula C130H89N20O2Pt5S2-3 and a molecular weight of 3002.80 g/mol.

Molecular Properties

• Compound Name: CID 157296429
• PubChem CID: 157296429
• Molecular Formula: C130H89N20O2Pt5S2-3
• Molecular Weight: 3002.80 g/mol
• Exact Mass: 3000.52
• IUPAC Name: —
• SMILES: C(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(C2C=CC=C[N-]2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-c2nccs2)ccc1)c1ccccc1.[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.C24H15N3S2.C22H12N2O2.C9H9N3.C9H8N3.5Pt/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;1-2-8-20(9-3-1)27(21-10-4-6-18(16-21)23-25-12-14-28-23)22-11-5-7-19(17-22)24-26-13-15-29-24;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;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;/h1-26H;1-12,14,16-21H;1-15H;1-12H;2-6,8H,1H3;2-6H,1H3;;;;;/q5*-2;-1;;4*+2
• InChIKey: DLBJKSMERYZMDK-UHFFFAOYSA-N
• XLogP: 32.89
• TPSA: 243.71 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3002.80
LogP ≤ 5	32.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 157296429?

The IUPAC name of CID 157296429 (CID 157296429) is not available.

What is the SMILES notation for CID 157296429?

The canonical SMILES for CID 157296429 is C(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(C2C=CC=C[N-]2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-c2nccs2)ccc1)c1ccccc1.[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 157296429?

The InChIKey is DLBJKSMERYZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6.C28H19N3.C24H15N3S2.C22H12N2O2.C9H9N3.C9H8N3.5Pt/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;1-2-8-20(9-3-1)27(21-10-4-6-18(16-21)23-25-12-14-28-23)22-11-5-7-19(17-22)24-26-13-15-29-24;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;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;/h1-26H;1-12,14,16-21H;1-15H;1-12H;2-6,8H,1H3;2-6H,1H3;;;;;/q5*-2;-1;;4*+2.

What are the key properties of CID 157296429?

CID 157296429 has a molecular weight of 3002.80 g/mol, XLogP of 32.89, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157296429 is sourced from PubChem (CID 157296429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).