azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)

C27H38Cl4N4O6Pt — CID 53255360

About azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)

azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate) (PubChem CID 53255360) has the molecular formula C27H38Cl4N4O6Pt and a molecular weight of 851.51 g/mol. Its IUPAC name is azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate).

Molecular Properties

• Compound Name: azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)
• PubChem CID: 53255360
• Molecular Formula: C27H38Cl4N4O6Pt
• Molecular Weight: 851.51 g/mol
• Exact Mass: 849.12
• IUPAC Name: azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)
• SMILES: CCCCCC(=O)[O-].CCCCCC(=O)[O-].Cl[Pt+2]Cl.N.N.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
• InChI: InChI=1S/C15H10Cl2N2O2.2C6H12O2.2ClH.2H3N.Pt/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21;2*1-2-3-4-5-6(7)8;;;;;/h1-7H,8H2,(H,20,21);2*2-5H2,1H3,(H,7,8);2*1H;2*1H3;/q;;;;;;;+4/p-4
• InChIKey: LTNFPQJFXVMDSR-UHFFFAOYSA-J
• XLogP: 6.42
• TPSA: 205.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.51
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)?

The IUPAC name of azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate) (CID 53255360) is azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate).

What is the SMILES notation for azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)?

The canonical SMILES for azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate) is CCCCCC(=O)[O-].CCCCCC(=O)[O-].Cl[Pt+2]Cl.N.N.O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.

What is the InChIKey of azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)?

The InChIKey is LTNFPQJFXVMDSR-UHFFFAOYSA-J. The full InChI is InChI=1S/C15H10Cl2N2O2.2C6H12O2.2ClH.2H3N.Pt/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21;2*1-2-3-4-5-6(7)8;;;;;/h1-7H,8H2,(H,20,21);2*2-5H2,1H3,(H,7,8);2*1H;2*1H3;/q;;;;;;;+4/p-4.

What are the key properties of azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)?

azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate) has a molecular weight of 851.51 g/mol, XLogP of 6.42, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate) is sourced from PubChem (CID 53255360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).