azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)

C26H38Cl2N2O4Pt — CID 145344960

IUPACazanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)
SMILESCl[Pt+2]Cl.O=C(O)CCCc1ccccc1.O=C(O)CCCc1ccccc1.[NH-]C1CCCCC1.[NH2-]
InChIInChI=1S/2C10H12O2.C6H12N.2ClH.H2N.Pt/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;7-6-4-2-1-3-5-6;;;;/h2*1-3,5-6H,4,7-8H2,(H,11,12);6-7H,1-5H2;2*1H;1H2;/q;;-1;;;-1;+4/p-2
InChIKeyUJGGWQLXSSJMRE-UHFFFAOYSA-L
MW708.58 g/mol
LogP8.65
Rot. Bonds8

About azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)

azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid) (PubChem CID 145344960) has the molecular formula C26H38Cl2N2O4Pt and a molecular weight of 708.58 g/mol. Its IUPAC name is azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid).

Molecular Properties

Compound Nameazanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)
PubChem CID145344960
Molecular FormulaC26H38Cl2N2O4Pt
Molecular Weight708.58 g/mol
Exact Mass707.19
IUPAC Nameazanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)
SMILESCl[Pt+2]Cl.O=C(O)CCCc1ccccc1.O=C(O)CCCc1ccccc1.[NH-]C1CCCCC1.[NH2-]
InChIInChI=1S/2C10H12O2.C6H12N.2ClH.H2N.Pt/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;7-6-4-2-1-3-5-6;;;;/h2*1-3,5-6H,4,7-8H2,(H,11,12);6-7H,1-5H2;2*1H;1H2;/q;;-1;;;-1;+4/p-2
InChIKeyUJGGWQLXSSJMRE-UHFFFAOYSA-L
XLogP8.65
TPSA131.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.58
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
cyclododecyl 4-phenylbutanoate
CID 23159480
bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)
CID 158784974
15-phenylpentadecanoic acid
CID 2737151
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
4-(3-cyclopentylphenyl)butanoic acid
CID 117336755
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
4-phenylbutanoyl chloride
CID 11789865
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736

Frequently Asked Questions

What is the IUPAC name of azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)?
The IUPAC name of azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid) (CID 145344960) is azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid).
What is the SMILES notation for azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)?
The canonical SMILES for azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid) is Cl[Pt+2]Cl.O=C(O)CCCc1ccccc1.O=C(O)CCCc1ccccc1.[NH-]C1CCCCC1.[NH2-].
What is the InChIKey of azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)?
The InChIKey is UJGGWQLXSSJMRE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12O2.C6H12N.2ClH.H2N.Pt/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;7-6-4-2-1-3-5-6;;;;/h2*1-3,5-6H,4,7-8H2,(H,11,12);6-7H,1-5H2;2*1H;1H2;/q;;-1;;;-1;+4/p-2.
What are the key properties of azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid)?
azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid) has a molecular weight of 708.58 g/mol, XLogP of 8.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;cyclohexylazanide;dichloroplatinum(2+);bis(4-phenylbutanoic acid) is sourced from PubChem (CID 145344960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).