carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate

C68H85Cl2N8O18Pt4-9 — CID 139159480

IUPACcarbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate
SMILESCO.CO.O.O.O.O.O=C([O-])c1cccc(Cl)c1.O=C([O-])c1cccc(Cl)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[H+].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[Pt+4].[Pt].[Pt].[Pt]
InChIInChI=1S/4C11H9N2O2.2C7H5ClO2.2CH4O.8CH3.4H2O.4Pt/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*8-6-3-1-2-5(4-6)7(9)10;2*1-2;;;;;;;;;;;;;;;;/h4*1-8,14H;2*1-4H,(H,9,10);2*2H,1H3;8*1H3;4*1H2;;;;/q4*-1;;;;;8*-1;;;;;;;;+4/p-1
InChIKeyGJJQDKISSKTEEU-UHFFFAOYSA-M
MW2153.68 g/mol
LogP1.15
Rot. Bonds10

About carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate

carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate (PubChem CID 139159480) has the molecular formula C68H85Cl2N8O18Pt4-9 and a molecular weight of 2153.68 g/mol. Its IUPAC name is carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate.

Molecular Properties

Compound Namecarbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate
PubChem CID139159480
Molecular FormulaC68H85Cl2N8O18Pt4-9
Molecular Weight2153.68 g/mol
Exact Mass2151.40
IUPAC Namecarbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate
SMILESCO.CO.O.O.O.O.O=C([O-])c1cccc(Cl)c1.O=C([O-])c1cccc(Cl)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[H+].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[Pt+4].[Pt].[Pt].[Pt]
InChIInChI=1S/4C11H9N2O2.2C7H5ClO2.2CH4O.8CH3.4H2O.4Pt/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*8-6-3-1-2-5(4-6)7(9)10;2*1-2;;;;;;;;;;;;;;;;/h4*1-8,14H;2*1-4H,(H,9,10);2*2H,1H3;8*1H3;4*1H2;;;;/q4*-1;;;;;8*-1;;;;;;;;+4/p-1
InChIKeyGJJQDKISSKTEEU-UHFFFAOYSA-M
XLogP1.15
TPSA523.00 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002153.68
LogP ≤ 51.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate?
The IUPAC name of carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate (CID 139159480) is carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate.
What is the SMILES notation for carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate?
The canonical SMILES for carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate is CO.CO.O.O.O.O.O=C([O-])c1cccc(Cl)c1.O=C([O-])c1cccc(Cl)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[H+].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[Pt+4].[Pt].[Pt].[Pt].
What is the InChIKey of carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate?
The InChIKey is GJJQDKISSKTEEU-UHFFFAOYSA-M. The full InChI is InChI=1S/4C11H9N2O2.2C7H5ClO2.2CH4O.8CH3.4H2O.4Pt/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*8-6-3-1-2-5(4-6)7(9)10;2*1-2;;;;;;;;;;;;;;;;/h4*1-8,14H;2*1-4H,(H,9,10);2*2H,1H3;8*1H3;4*1H2;;;;/q4*-1;;;;;8*-1;;;;;;;;+4/p-1.
What are the key properties of carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate?
carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate has a molecular weight of 2153.68 g/mol, XLogP of 1.15, 10 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(3-chlorobenzoate);hydron;tetrakis(hydroxy(dipyridin-2-yl)methanolate);methanol;platinum;platinum(4+);tetrahydrate is sourced from PubChem (CID 139159480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).