pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid

C79H164Cl10N6O18Pt5 — CID 158018854

IUPACpentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CO.CO.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.OCCO.OCCO.OCCO.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-]
InChIInChI=1S/C18H36O2.C9H19NO2.5C7H13N.3C3H6O2.3C2H6O2.2CH4O.10ClH.5Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(2,3)6-9(4,5)10-7(11)12;5*1-6-4-2-3-5-7(6)8;3*1-2-3(4)5;3*3-1-2-4;2*1-2;;;;;;;;;;;;;;;/h2-17H2,1H3,(H,19,20);10H,6H2,1-5H3,(H,11,12);5*6-8H,1-5H2;3*2H2,1H3,(H,4,5);3*3-4H,1-2H2;2*2H,1H3;10*1H;;;;;/q;;5*-2;;;;;;;;;;;;;;;;;;;5*+4/p-10/t;;5*6-,7-;;;;;;;;;;;;;;;;;;;;;;;/m..11111......................./s1
InChIKeyWNXUKQRLPHEFMZ-CGALLETESA-D
MW2816.13 g/mol
LogP25.41
Rot. Bonds24

About pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid

pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid (PubChem CID 158018854) has the molecular formula C79H164Cl10N6O18Pt5 and a molecular weight of 2816.13 g/mol. Its IUPAC name is pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid.

Molecular Properties

Compound Namepentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid
PubChem CID158018854
Molecular FormulaC79H164Cl10N6O18Pt5
Molecular Weight2816.13 g/mol
Exact Mass2809.72
IUPAC Namepentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CO.CO.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.OCCO.OCCO.OCCO.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-]
InChIInChI=1S/C18H36O2.C9H19NO2.5C7H13N.3C3H6O2.3C2H6O2.2CH4O.10ClH.5Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(2,3)6-9(4,5)10-7(11)12;5*1-6-4-2-3-5-7(6)8;3*1-2-3(4)5;3*3-1-2-4;2*1-2;;;;;;;;;;;;;;;/h2-17H2,1H3,(H,19,20);10H,6H2,1-5H3,(H,11,12);5*6-8H,1-5H2;3*2H2,1H3,(H,4,5);3*3-4H,1-2H2;2*2H,1H3;10*1H;;;;;/q;;5*-2;;;;;;;;;;;;;;;;;;;5*+4/p-10/t;;5*6-,7-;;;;;;;;;;;;;;;;;;;;;;;/m..11111......................./s1
InChIKeyWNXUKQRLPHEFMZ-CGALLETESA-D
XLogP25.41
TPSA479.37 Ų
H-Bond Donors14
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002816.13
LogP ≤ 525.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid with MolForge

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Related Compounds

(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid
CID 152918298
azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)
CID 158980043
tris(cyclododecanol);hexadecanoic acid
CID 175985554
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
butanedioic acid;decanoic acid;ethane-1,2-diol
CID 174941977
dichloroplatinum(2+);[(1S,2R)-2-methanidylcyclohexyl]azanide
CID 160751688
decanoic acid;propanoic acid
CID 87792095
N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid
CID 173099176
ethane-1,2-diol;ethene;octadecanoic acid
CID 157089161
sodium;ethane-1,2-diol;octadecanoic acid;chloride
CID 158559580
octanoic acid;propanoic acid;ruthenium
CID 173427049
CID 57488644
CID 57488644

Frequently Asked Questions

What is the IUPAC name of pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid?
The IUPAC name of pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid (CID 158018854) is pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid.
What is the SMILES notation for pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid?
The canonical SMILES for pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid is CC(C)(C)CC(C)(C)NC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CO.CO.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.OCCO.OCCO.OCCO.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].
What is the InChIKey of pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid?
The InChIKey is WNXUKQRLPHEFMZ-CGALLETESA-D. The full InChI is InChI=1S/C18H36O2.C9H19NO2.5C7H13N.3C3H6O2.3C2H6O2.2CH4O.10ClH.5Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(2,3)6-9(4,5)10-7(11)12;5*1-6-4-2-3-5-7(6)8;3*1-2-3(4)5;3*3-1-2-4;2*1-2;;;;;;;;;;;;;;;/h2-17H2,1H3,(H,19,20);10H,6H2,1-5H3,(H,11,12);5*6-8H,1-5H2;3*2H2,1H3,(H,4,5);3*3-4H,1-2H2;2*2H,1H3;10*1H;;;;;/q;;5*-2;;;;;;;;;;;;;;;;;;;5*+4/p-10/t;;5*6-,7-;;;;;;;;;;;;;;;;;;;;;;;/m..11111......................./s1.
What are the key properties of pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid?
pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid has a molecular weight of 2816.13 g/mol, XLogP of 25.41, 24 rotatable bonds, 14 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid is sourced from PubChem (CID 158018854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).