CID 170932203

C65H78N4OPt — CID 170932203

About CID 170932203

CID 170932203 (PubChem CID 170932203) has the molecular formula C65H78N4OPt and a molecular weight of 1126.44 g/mol.

Molecular Properties

• Compound Name: CID 170932203
• PubChem CID: 170932203
• Molecular Formula: C65H78N4OPt
• Molecular Weight: 1126.44 g/mol
• Exact Mass: 1125.58
• IUPAC Name: —
• SMILES: Cc1cc2c3cc(C(C)(C)C)cc4c3n(c2[c-]c1Oc1[c-]c(C2=N[C@H](C(C(C)C)C(C)C)CN2c2c(C(C)C)cccc2C(C)C)cc(-c2c(C(C)C)cccc2C(C)C)c1)-c1ncccc1C4(C)C.[Pt+2]
• InChI: InChI=1S/C65H78N4O.Pt/c1-36(2)47-22-19-23-48(37(3)4)59(47)43-29-44(62-67-55(58(40(9)10)41(11)12)35-68(62)60-49(38(5)6)24-20-25-50(60)39(7)8)31-46(30-43)70-57-34-56-51(28-42(57)13)52-32-45(64(14,15)16)33-54-61(52)69(56)63-53(65(54,17)18)26-21-27-66-63;/h19-30,32-33,36-41,55,58H,35H2,1-18H3;/q-2;+2/t55-;/m0./s1
• InChIKey: FZQOJTGPWMZHQC-FXVCFGDZSA-N
• XLogP: 17.54
• TPSA: 42.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.44
LogP ≤ 5	17.54
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 170932203?

The IUPAC name of CID 170932203 (CID 170932203) is not available.

What is the SMILES notation for CID 170932203?

The canonical SMILES for CID 170932203 is Cc1cc2c3cc(C(C)(C)C)cc4c3n(c2[c-]c1Oc1[c-]c(C2=N[C@H](C(C(C)C)C(C)C)CN2c2c(C(C)C)cccc2C(C)C)cc(-c2c(C(C)C)cccc2C(C)C)c1)-c1ncccc1C4(C)C.[Pt+2].

What is the InChIKey of CID 170932203?

The InChIKey is FZQOJTGPWMZHQC-FXVCFGDZSA-N. The full InChI is InChI=1S/C65H78N4O.Pt/c1-36(2)47-22-19-23-48(37(3)4)59(47)43-29-44(62-67-55(58(40(9)10)41(11)12)35-68(62)60-49(38(5)6)24-20-25-50(60)39(7)8)31-46(30-43)70-57-34-56-51(28-42(57)13)52-32-45(64(14,15)16)33-54-61(52)69(56)63-53(65(54,17)18)26-21-27-66-63;/h19-30,32-33,36-41,55,58H,35H2,1-18H3;/q-2;+2/t55-;/m0./s1.

What are the key properties of CID 170932203?

CID 170932203 has a molecular weight of 1126.44 g/mol, XLogP of 17.54, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 170932203 is sourced from PubChem (CID 170932203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).