azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid)

C48H72Cl2N2O8Pt — CID 165154305

About azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid)

azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid) (PubChem CID 165154305) has the molecular formula C48H72Cl2N2O8Pt and a molecular weight of 1071.09 g/mol. Its IUPAC name is azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid).

Molecular Properties

• Compound Name: azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid)
• PubChem CID: 165154305
• Molecular Formula: C48H72Cl2N2O8Pt
• Molecular Weight: 1071.09 g/mol
• Exact Mass: 1069.43
• IUPAC Name: azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid)
• SMILES: C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.Cl[Pt+2]Cl.[NH2-].[NH2-]
• InChI: InChI=1S/2C24H34O4.2ClH.2H2N.Pt/c2*1-5-6-7-8-18-14-21(25)24(22(15-18)28-12-11-23(26)27)20-13-17(4)9-10-19(20)16(2)3;;;;;/h2*13-15,19-20,25H,2,5-12H2,1,3-4H3,(H,26,27);2*1H;2*1H2;/q;;;;2*-1;+4/p-2
• InChIKey: YVUBZIBHNIKUGS-UHFFFAOYSA-L
• XLogP: 14.80
• TPSA: 200.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.09
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid)?

The IUPAC name of azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid) (CID 165154305) is azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid).

What is the SMILES notation for azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid)?

The canonical SMILES for azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid) is C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.Cl[Pt+2]Cl.[NH2-].[NH2-].

What is the InChIKey of azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid)?

The InChIKey is YVUBZIBHNIKUGS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H34O4.2ClH.2H2N.Pt/c2*1-5-6-7-8-18-14-21(25)24(22(15-18)28-12-11-23(26)27)20-13-17(4)9-10-19(20)16(2)3;;;;;/h2*13-15,19-20,25H,2,5-12H2,1,3-4H3,(H,26,27);2*1H;2*1H2;/q;;;;2*-1;+4/p-2.

What are the key properties of azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid)?

azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid) has a molecular weight of 1071.09 g/mol, XLogP of 14.80, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;dichloroplatinum(2+);bis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid) is sourced from PubChem (CID 165154305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).