CID 170668620

C91H78N5Pt-3 — CID 170668620

About CID 170668620

CID 170668620 (PubChem CID 170668620) has the molecular formula C91H78N5Pt-3 and a molecular weight of 1444.79 g/mol.

Molecular Properties

• Compound Name: CID 170668620
• PubChem CID: 170668620
• Molecular Formula: C91H78N5Pt-3
• Molecular Weight: 1444.79 g/mol
• Exact Mass: 1443.64
• 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)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C91H78N5.Pt/c1-61-48-87(92-59-82(61)65-36-21-14-22-37-65)96-83-43-26-25-40-80(83)78-38-23-24-39-79(78)81-47-46-72(58-86(81)96)95(74-52-66(62-30-15-11-16-31-62)49-67(53-74)63-32-17-12-18-33-63)75-56-71(91(8,9)10)55-73(57-75)93-60-94(85-45-28-27-44-84(85)93)88-76(64-34-19-13-20-35-64)41-29-42-77(88)68-50-69(89(2,3)4)54-70(51-68)90(5,6)7;/h11-56,59-60H,1-10H3;/q-3;/i1D3,13D,19D,20D,34D,35D
• InChIKey: WWYRFDLRPJTZJA-PPQDRILESA-N
• XLogP: 25.21
• TPSA: 25.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1444.79
LogP ≤ 5	25.21
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 170668620?

The IUPAC name of CID 170668620 (CID 170668620) is not available.

What is the SMILES notation for CID 170668620?

The canonical SMILES for CID 170668620 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)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of CID 170668620?

The InChIKey is WWYRFDLRPJTZJA-PPQDRILESA-N. The full InChI is InChI=1S/C91H78N5.Pt/c1-61-48-87(92-59-82(61)65-36-21-14-22-37-65)96-83-43-26-25-40-80(83)78-38-23-24-39-79(78)81-47-46-72(58-86(81)96)95(74-52-66(62-30-15-11-16-31-62)49-67(53-74)63-32-17-12-18-33-63)75-56-71(91(8,9)10)55-73(57-75)93-60-94(85-45-28-27-44-84(85)93)88-76(64-34-19-13-20-35-64)41-29-42-77(88)68-50-69(89(2,3)4)54-70(51-68)90(5,6)7;/h11-56,59-60H,1-10H3;/q-3;/i1D3,13D,19D,20D,34D,35D;.

What are the key properties of CID 170668620?

CID 170668620 has a molecular weight of 1444.79 g/mol, XLogP of 25.21, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 170668620 is sourced from PubChem (CID 170668620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).