CID 170668665

C79H70N5Pt-3 — CID 170668665

About CID 170668665

CID 170668665 (PubChem CID 170668665) has the molecular formula C79H70N5Pt-3 and a molecular weight of 1292.59 g/mol.

Molecular Properties

• Compound Name: CID 170668665
• PubChem CID: 170668665
• Molecular Formula: C79H70N5Pt-3
• Molecular Weight: 1292.59 g/mol
• Exact Mass: 1291.58
• IUPAC Name: —
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2[CH-]N(c3[c-]c(N(c4[c-]c5c(cc4)-c4ccccc4-c4ccccc4N5c4cc(C([2H])([2H])[2H])c(-c5ccccc5)cn4)c4ccccc4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C79H70N5.Pt/c1-53-43-75(80-51-70(53)55-29-16-12-17-30-55)84-71-38-23-22-35-68(71)66-33-20-21-34-67(66)69-42-41-61(50-74(69)84)83(60-31-18-13-19-32-60)63-48-59(79(8,9)10)47-62(49-63)81-52-82(73-40-25-24-39-72(73)81)76-64(54-27-14-11-15-28-54)36-26-37-65(76)56-44-57(77(2,3)4)46-58(45-56)78(5,6)7;/h11-48,51-52H,1-10H3;/q-3;/i1D3,11D,14D,15D,27D,28D
• InChIKey: AYQRBARFDKYWDP-ICODTVBTSA-N
• XLogP: 21.88
• TPSA: 25.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1292.59
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 170668665?

The IUPAC name of CID 170668665 (CID 170668665) is not available.

What is the SMILES notation for CID 170668665?

The canonical SMILES for CID 170668665 is [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2[CH-]N(c3[c-]c(N(c4[c-]c5c(cc4)-c4ccccc4-c4ccccc4N5c4cc(C([2H])([2H])[2H])c(-c5ccccc5)cn4)c4ccccc4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of CID 170668665?

The InChIKey is AYQRBARFDKYWDP-ICODTVBTSA-N. The full InChI is InChI=1S/C79H70N5.Pt/c1-53-43-75(80-51-70(53)55-29-16-12-17-30-55)84-71-38-23-22-35-68(71)66-33-20-21-34-67(66)69-42-41-61(50-74(69)84)83(60-31-18-13-19-32-60)63-48-59(79(8,9)10)47-62(49-63)81-52-82(73-40-25-24-39-72(73)81)76-64(54-27-14-11-15-28-54)36-26-37-65(76)56-44-57(77(2,3)4)46-58(45-56)78(5,6)7;/h11-48,51-52H,1-10H3;/q-3;/i1D3,11D,14D,15D,27D,28D;.

What are the key properties of CID 170668665?

CID 170668665 has a molecular weight of 1292.59 g/mol, XLogP of 21.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 170668665 is sourced from PubChem (CID 170668665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).