azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid

C59H102Cl2N2O8Pt — CID 140653495

About azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid

azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid (PubChem CID 140653495) has the molecular formula C59H102Cl2N2O8Pt and a molecular weight of 1233.45 g/mol. Its IUPAC name is azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid.

Molecular Properties

• Compound Name: azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid
• PubChem CID: 140653495
• Molecular Formula: C59H102Cl2N2O8Pt
• Molecular Weight: 1233.45 g/mol
• Exact Mass: 1231.67
• IUPAC Name: azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid
• SMILES: CCCCCC(C)CCCC(C)CCCC1(C)CCc2c(cc(C)c(OCC(=O)O)c2C)O1.Cc1cc2c(c(C)c1OCC(=O)O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2.Cl[Pt+2]Cl.[NH2-].[NH2-]
• InChI: InChI=1S/C30H50O4.C29H48O4.2ClH.2H2N.Pt/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-30(7)18-16-26-25(6)29(33-20-28(31)32)24(5)19-27(26)34-30;1-7-8-9-12-21(2)13-10-14-22(3)15-11-17-29(6)18-16-25-24(5)28(32-20-27(30)31)23(4)19-26(25)33-29;;;;;/h19,21-23H,8-18,20H2,1-7H3,(H,31,32);19,21-22H,7-18,20H2,1-6H3,(H,30,31);2*1H;2*1H2;/q;;;;2*-1;+4/p-2
• InChIKey: DACPXPORUZXRNH-UHFFFAOYSA-L
• XLogP: 19.14
• TPSA: 178.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 30
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1233.45
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid?

The IUPAC name of azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid (CID 140653495) is azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid.

What is the SMILES notation for azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid?

The canonical SMILES for azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid is CCCCCC(C)CCCC(C)CCCC1(C)CCc2c(cc(C)c(OCC(=O)O)c2C)O1.Cc1cc2c(c(C)c1OCC(=O)O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2.Cl[Pt+2]Cl.[NH2-].[NH2-].

What is the InChIKey of azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid?

The InChIKey is DACPXPORUZXRNH-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H50O4.C29H48O4.2ClH.2H2N.Pt/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-30(7)18-16-26-25(6)29(33-20-28(31)32)24(5)19-27(26)34-30;1-7-8-9-12-21(2)13-10-14-22(3)15-11-17-29(6)18-16-25-24(5)28(32-20-27(30)31)23(4)19-26(25)33-29;;;;;/h19,21-23H,8-18,20H2,1-7H3,(H,31,32);19,21-22H,7-18,20H2,1-6H3,(H,30,31);2*1H;2*1H2;/q;;;;2*-1;+4/p-2.

What are the key properties of azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid?

azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid has a molecular weight of 1233.45 g/mol, XLogP of 19.14, 30 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid is sourced from PubChem (CID 140653495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).