bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)

C35H56N5O15Pt2-3 — CID 158784974

IUPACbis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCCNC(=O)CCC(=O)O.O=C(O)CCCc1ccccc1.[CH3-].[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[Pt+2].[Pt]
InChIInChI=1S/C10H12O2.C8H13NO5.2C6H12N2.2C2H2O4.CH3.2Pt/c11-10(12)8-4-7-9-5-2-1-3-6-9;10-6(3-4-8(13)14)9-5-1-2-7(11)12;2*7-5-3-1-2-4-6(5)8;2*3-1(4)2(5)6;;;/h1-3,5-6H,4,7-8H2,(H,11,12);1-5H2,(H,9,10)(H,11,12)(H,13,14);2*5-8H,1-4H2;2*(H,3,4)(H,5,6);1H3;;/q;;2*-2;;;-1;;+2
InChIKeyZWFRCRRRFLFBQA-UHFFFAOYSA-N
MW1177.01 g/mol
LogP5.49
Rot. Bonds11

About bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)

bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+) (PubChem CID 158784974) has the molecular formula C35H56N5O15Pt2-3 and a molecular weight of 1177.01 g/mol. Its IUPAC name is bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+).

Molecular Properties

Compound Namebis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)
PubChem CID158784974
Molecular FormulaC35H56N5O15Pt2-3
Molecular Weight1177.01 g/mol
Exact Mass1176.31
IUPAC Namebis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCCNC(=O)CCC(=O)O.O=C(O)CCCc1ccccc1.[CH3-].[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[Pt+2].[Pt]
InChIInChI=1S/C10H12O2.C8H13NO5.2C6H12N2.2C2H2O4.CH3.2Pt/c11-10(12)8-4-7-9-5-2-1-3-6-9;10-6(3-4-8(13)14)9-5-1-2-7(11)12;2*7-5-3-1-2-4-6(5)8;2*3-1(4)2(5)6;;;/h1-3,5-6H,4,7-8H2,(H,11,12);1-5H2,(H,9,10)(H,11,12)(H,13,14);2*5-8H,1-4H2;2*(H,3,4)(H,5,6);1H3;;/q;;2*-2;;;-1;;+2
InChIKeyZWFRCRRRFLFBQA-UHFFFAOYSA-N
XLogP5.49
TPSA385.40 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.01
LogP ≤ 55.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)?
The IUPAC name of bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+) (CID 158784974) is bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+).
What is the SMILES notation for bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)?
The canonical SMILES for bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+) is O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCCNC(=O)CCC(=O)O.O=C(O)CCCc1ccccc1.[CH3-].[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[Pt+2].[Pt].
What is the InChIKey of bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)?
The InChIKey is ZWFRCRRRFLFBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C8H13NO5.2C6H12N2.2C2H2O4.CH3.2Pt/c11-10(12)8-4-7-9-5-2-1-3-6-9;10-6(3-4-8(13)14)9-5-1-2-7(11)12;2*7-5-3-1-2-4-6(5)8;2*3-1(4)2(5)6;;;/h1-3,5-6H,4,7-8H2,(H,11,12);1-5H2,(H,9,10)(H,11,12)(H,13,14);2*5-8H,1-4H2;2*(H,3,4)(H,5,6);1H3;;/q;;2*-2;;;-1;;+2.
What are the key properties of bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)?
bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+) has a molecular weight of 1177.01 g/mol, XLogP of 5.49, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+) is sourced from PubChem (CID 158784974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).