CID 170933627

C73H78N4OPt — CID 170933627

About CID 170933627

CID 170933627 (PubChem CID 170933627) has the molecular formula C73H78N4OPt and a molecular weight of 1222.53 g/mol.

Molecular Properties

• Compound Name: CID 170933627
• PubChem CID: 170933627
• Molecular Formula: C73H78N4OPt
• Molecular Weight: 1222.53 g/mol
• Exact Mass: 1221.58
• IUPAC Name: —
• SMILES: Cc1cc(C)c(-c2cc(Oc3[c-]c4c(cc3C)c3cc(C(C)(C)C)cc5c3n4-c3nccc(C)c3C5(C)C)[c-]c(C3=NC(C)(C)[C@](C)(C(c4ccccc4)c4ccccc4)N3c3cc(C(C)C)cc(C(C)(C)C)c3)c2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C73H78N4O.Pt/c1-43(2)51-35-54(69(8,9)10)39-56(36-51)77-67(75-72(16,17)73(77,18)65(49-25-21-19-22-26-49)50-27-23-20-24-28-50)53-34-52(63-47(6)31-44(3)32-48(63)7)37-57(38-53)78-62-42-61-58(33-46(62)5)59-40-55(70(11,12)13)41-60-66(59)76(61)68-64(71(60,14)15)45(4)29-30-74-68;/h19-37,39-41,43,65H,1-18H3;/q-2;+2/t73-;/m0./s1
• InChIKey: MRTCLNDSZYTCEJ-JYKXNMKPSA-N
• XLogP: 18.77
• TPSA: 42.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1222.53
LogP ≤ 5	18.77
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 170933627?

The IUPAC name of CID 170933627 (CID 170933627) is not available.

What is the SMILES notation for CID 170933627?

The canonical SMILES for CID 170933627 is Cc1cc(C)c(-c2cc(Oc3[c-]c4c(cc3C)c3cc(C(C)(C)C)cc5c3n4-c3nccc(C)c3C5(C)C)[c-]c(C3=NC(C)(C)[C@](C)(C(c4ccccc4)c4ccccc4)N3c3cc(C(C)C)cc(C(C)(C)C)c3)c2)c(C)c1.[Pt+2].

What is the InChIKey of CID 170933627?

The InChIKey is MRTCLNDSZYTCEJ-JYKXNMKPSA-N. The full InChI is InChI=1S/C73H78N4O.Pt/c1-43(2)51-35-54(69(8,9)10)39-56(36-51)77-67(75-72(16,17)73(77,18)65(49-25-21-19-22-26-49)50-27-23-20-24-28-50)53-34-52(63-47(6)31-44(3)32-48(63)7)37-57(38-53)78-62-42-61-58(33-46(62)5)59-40-55(70(11,12)13)41-60-66(59)76(61)68-64(71(60,14)15)45(4)29-30-74-68;/h19-37,39-41,43,65H,1-18H3;/q-2;+2/t73-;/m0./s1.

What are the key properties of CID 170933627?

CID 170933627 has a molecular weight of 1222.53 g/mol, XLogP of 18.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 170933627 is sourced from PubChem (CID 170933627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).