CID 176650160

C49H44N4Pt — CID 176650160

About CID 176650160

CID 176650160 (PubChem CID 176650160) has the molecular formula C49H44N4Pt and a molecular weight of 893.05 g/mol.

Molecular Properties

• Compound Name: CID 176650160
• PubChem CID: 176650160
• Molecular Formula: C49H44N4Pt
• Molecular Weight: 893.05 g/mol
• Exact Mass: 892.38
• IUPAC Name: —
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]cccc3c3ccccc32)c1.[2H]C([2H])([2H])c1ccc2c3c1c1ccc[c-]c1c1nc(-c4ccccc4)c(n13)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C2(C)C.[Pt+2]
• InChI: InChI=1S/C28H25N2.C21H19N2.Pt/c1-17-15-16-21-24-22(17)19-13-9-10-14-20(19)26-29-23(18-11-7-6-8-12-18)25(30(24)26)28(4,5)27(21,2)3;1-21(2,3)15-12-13-22-20(14-15)23-18-10-6-4-8-16(18)17-9-5-7-11-19(17)23;/h6-13,15-16H,1-5H3;4-10,12-14H,1-3H3;/q2*-1;+2/i1D3,4D3,5D3
• InChIKey: OGULEWIYQPOLAA-AQTRCKSYSA-N
• XLogP: 12.26
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.05
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 176650160?

The IUPAC name of CID 176650160 (CID 176650160) is not available.

What is the SMILES notation for CID 176650160?

The canonical SMILES for CID 176650160 is CC(C)(C)c1ccnc(-n2c3[c-]cccc3c3ccccc32)c1.[2H]C([2H])([2H])c1ccc2c3c1c1ccc[c-]c1c1nc(-c4ccccc4)c(n13)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C2(C)C.[Pt+2].

What is the InChIKey of CID 176650160?

The InChIKey is OGULEWIYQPOLAA-AQTRCKSYSA-N. The full InChI is InChI=1S/C28H25N2.C21H19N2.Pt/c1-17-15-16-21-24-22(17)19-13-9-10-14-20(19)26-29-23(18-11-7-6-8-12-18)25(30(24)26)28(4,5)27(21,2)3;1-21(2,3)15-12-13-22-20(14-15)23-18-10-6-4-8-16(18)17-9-5-7-11-19(17)23;/h6-13,15-16H,1-5H3;4-10,12-14H,1-3H3;/q2*-1;+2/i1D3,4D3,5D3;;.

What are the key properties of CID 176650160?

CID 176650160 has a molecular weight of 893.05 g/mol, XLogP of 12.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 176650160 is sourced from PubChem (CID 176650160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).