azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate

C16H25ClN3O3Pt-2 — CID 160790715

IUPACazanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate
SMILESC.Cl[Pt].O.OCCO.[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.C2H6O2.CH4.ClH.2H2N.H2O.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;3-1-2-4;;;;;;/h1-9H;3-4H,1-2H2;1H4;1H;3*1H2;/q;;;;2*-1;;+1/p-1
InChIKeyTYDRTJSSWXZBBJ-UHFFFAOYSA-M
MW537.93 g/mol
LogP4.29
Rot. Bonds1

About azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate

azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate (PubChem CID 160790715) has the molecular formula C16H25ClN3O3Pt-2 and a molecular weight of 537.93 g/mol. Its IUPAC name is azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate.

Molecular Properties

Compound Nameazanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate
PubChem CID160790715
Molecular FormulaC16H25ClN3O3Pt-2
Molecular Weight537.93 g/mol
Exact Mass537.12
IUPAC Nameazanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate
SMILESC.Cl[Pt].O.OCCO.[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.C2H6O2.CH4.ClH.2H2N.H2O.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;3-1-2-4;;;;;;/h1-9H;3-4H,1-2H2;1H4;1H;3*1H2;/q;;;;2*-1;;+1/p-1
InChIKeyTYDRTJSSWXZBBJ-UHFFFAOYSA-M
XLogP4.29
TPSA151.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.93
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthridine
CID 9189
phenanthridine;platinum(2+)
CID 23616726
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10-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 15831757
azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid
CID 160913479
phenanthridine;thiadiazole
CID 174622383
azanide;pentadecanoate;phenanthridine;platinum(4+);nitrate
CID 73426196
2-quinolin-3-ylethanol
CID 53403774
2-methylphenanthridine
CID 14384826
9-methylphenanthridine
CID 10987123
(3-chloroisoquinolin-4-yl)methanol
CID 86690749
acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
CID 161059130

Frequently Asked Questions

What is the IUPAC name of azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate?
The IUPAC name of azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate (CID 160790715) is azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate.
What is the SMILES notation for azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate?
The canonical SMILES for azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate is C.Cl[Pt].O.OCCO.[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12.
What is the InChIKey of azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate?
The InChIKey is TYDRTJSSWXZBBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9N.C2H6O2.CH4.ClH.2H2N.H2O.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;3-1-2-4;;;;;;/h1-9H;3-4H,1-2H2;1H4;1H;3*1H2;/q;;;;2*-1;;+1/p-1.
What are the key properties of azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate?
azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate has a molecular weight of 537.93 g/mol, XLogP of 4.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate is sourced from PubChem (CID 160790715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).