CID 155784889

C59H30B2N4O2Pt2S2-6 — CID 155784889

About CID 155784889

CID 155784889 (PubChem CID 155784889) has the molecular formula C59H30B2N4O2Pt2S2-6 and a molecular weight of 1302.83 g/mol.

Molecular Properties

• Compound Name: CID 155784889
• PubChem CID: 155784889
• Molecular Formula: C59H30B2N4O2Pt2S2-6
• Molecular Weight: 1302.83 g/mol
• Exact Mass: 1302.13
• IUPAC Name: —
• SMILES: [C-]1=C(c2[c-]c3c(cc2)Oc2cccc4c2B3c2[c-]c(-n3cc(-c5ccccc5)cn3)ccc2O4)[C-]=C(c2[c-]c3c(cc2)Sc2cccc4c2B3c2[c-]c(-n3cc(-c5ccccc5)cn3)ccc2S4)C1.[Pt].[Pt]
• InChI: InChI=1S/C59H30B2N4O2S2.2Pt/c1-3-9-36(10-4-1)42-32-62-64(34-42)44-21-24-51-47(30-44)60-46-28-40(19-23-50(46)66-52-13-7-14-53(67-51)58(52)60)38-17-18-39(27-38)41-20-25-54-48(29-41)61-49-31-45(65-35-43(33-63-65)37-11-5-2-6-12-37)22-26-55(49)69-57-16-8-15-56(68-54)59(57)61;;/h1-16,19-26,32-35H,18H2;;/q-6
• InChIKey: WJMJRJAUJVMEQC-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 54.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1302.83
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 155784889?

The IUPAC name of CID 155784889 (CID 155784889) is not available.

What is the SMILES notation for CID 155784889?

The canonical SMILES for CID 155784889 is [C-]1=C(c2[c-]c3c(cc2)Oc2cccc4c2B3c2[c-]c(-n3cc(-c5ccccc5)cn3)ccc2O4)[C-]=C(c2[c-]c3c(cc2)Sc2cccc4c2B3c2[c-]c(-n3cc(-c5ccccc5)cn3)ccc2S4)C1.[Pt].[Pt].

What is the InChIKey of CID 155784889?

The InChIKey is WJMJRJAUJVMEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H30B2N4O2S2.2Pt/c1-3-9-36(10-4-1)42-32-62-64(34-42)44-21-24-51-47(30-44)60-46-28-40(19-23-50(46)66-52-13-7-14-53(67-51)58(52)60)38-17-18-39(27-38)41-20-25-54-48(29-41)61-49-31-45(65-35-43(33-63-65)37-11-5-2-6-12-37)22-26-55(49)69-57-16-8-15-56(68-54)59(57)61;;/h1-16,19-26,32-35H,18H2;;/q-6;;.

What are the key properties of CID 155784889?

CID 155784889 has a molecular weight of 1302.83 g/mol, XLogP of 9.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for CID 155784889 is sourced from PubChem (CID 155784889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).