CID 177105409

C59H43N4OPt-3 — CID 177105409

About CID 177105409

CID 177105409 (PubChem CID 177105409) has the molecular formula C59H43N4OPt-3 and a molecular weight of 1033.18 g/mol.

Molecular Properties

• Compound Name: CID 177105409
• PubChem CID: 177105409
• Molecular Formula: C59H43N4OPt-3
• Molecular Weight: 1033.18 g/mol
• Exact Mass: 1032.40
• IUPAC Name: —
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]n7c8c(C)cccc8c8cc(C)ccc8c8ccccc8c8cccc6c87)ccc5C([2H])([2H])[2H])ccc4c4cc(C([2H])([2H])[2H])ccc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C59H43N4O.Pt/c1-36-21-26-46-44-16-9-10-17-45(44)48-19-12-20-54-59(48)62(58-39(4)13-11-18-49(58)50(46)29-36)35-61(54)42-24-23-38(3)56(32-42)64-43-25-27-47-51-30-37(2)22-28-53(51)63(55(47)33-43)57-31-40(5)52(34-60-57)41-14-7-6-8-15-41;/h6-31,34-35H,1-5H3;/q-3;/i2D3,3D3,5D3,6D,7D,8D,14D,15D
• InChIKey: UHCVITHBSLNRPW-STGJXHSESA-N
• XLogP: 15.44
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.18
LogP ≤ 5	15.44
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 177105409?

The IUPAC name of CID 177105409 (CID 177105409) is not available.

What is the SMILES notation for CID 177105409?

The canonical SMILES for CID 177105409 is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]n7c8c(C)cccc8c8cc(C)ccc8c8ccccc8c8cccc6c87)ccc5C([2H])([2H])[2H])ccc4c4cc(C([2H])([2H])[2H])ccc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].[Pt].

What is the InChIKey of CID 177105409?

The InChIKey is UHCVITHBSLNRPW-STGJXHSESA-N. The full InChI is InChI=1S/C59H43N4O.Pt/c1-36-21-26-46-44-16-9-10-17-45(44)48-19-12-20-54-59(48)62(58-39(4)13-11-18-49(58)50(46)29-36)35-61(54)42-24-23-38(3)56(32-42)64-43-25-27-47-51-30-37(2)22-28-53(51)63(55(47)33-43)57-31-40(5)52(34-60-57)41-14-7-6-8-15-41;/h6-31,34-35H,1-5H3;/q-3;/i2D3,3D3,5D3,6D,7D,8D,14D,15D;.

What are the key properties of CID 177105409?

CID 177105409 has a molecular weight of 1033.18 g/mol, XLogP of 15.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 177105409 is sourced from PubChem (CID 177105409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).