azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride

C27H42ClN5O7Pt — CID 73426784

IUPACazane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride
SMILESCC(C)(C)C(C)(C)N=C([O-])[O-].CCC(C)(C)C(=O)[O-].N.N.O=[N+]([O-])O.[Cl-].[Pt+4].c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.C8H17NO2.C6H12O2.ClH.HNO3.2H3N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-7(2,3)8(4,5)9-6(10)11;1-4-6(2,3)5(7)8;;2-1(3)4;;;/h1-9H;1-5H3,(H2,9,10,11);4H2,1-3H3,(H,7,8);1H;(H,2,3,4);2*1H3;/q;;;;;;;+4/p-4
InChIKeyVZKINOCTVQHCNF-UHFFFAOYSA-J
MW779.19 g/mol
LogP0.43
Rot. Bonds3

About azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride

azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride (PubChem CID 73426784) has the molecular formula C27H42ClN5O7Pt and a molecular weight of 779.19 g/mol. Its IUPAC name is azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride.

Molecular Properties

Compound Nameazane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride
PubChem CID73426784
Molecular FormulaC27H42ClN5O7Pt
Molecular Weight779.19 g/mol
Exact Mass778.24
IUPAC Nameazane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride
SMILESCC(C)(C)C(C)(C)N=C([O-])[O-].CCC(C)(C)C(=O)[O-].N.N.O=[N+]([O-])O.[Cl-].[Pt+4].c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.C8H17NO2.C6H12O2.ClH.HNO3.2H3N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-7(2,3)8(4,5)9-6(10)11;1-4-6(2,3)5(7)8;;2-1(3)4;;;/h1-9H;1-5H3,(H2,9,10,11);4H2,1-3H3,(H,7,8);1H;(H,2,3,4);2*1H3;/q;;;;;;;+4/p-4
InChIKeyVZKINOCTVQHCNF-UHFFFAOYSA-J
XLogP0.43
TPSA244.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500779.19
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 73426196
phenanthridine
CID 9189
phenanthridine;platinum(2+)
CID 23616726
azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid
CID 160913479
2-nitrophenanthridine
CID 15065495
2,2-dimethylbutanamide;quinoline
CID 174754953
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
nitric acid;1,7-phenanthroline
CID 175111698
phenanthridine;thiadiazole
CID 174622383
azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate
CID 160790715
copper bis(2,2-dimethylbutanoate)
CID 158983078
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

Frequently Asked Questions

What is the IUPAC name of azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride?
The IUPAC name of azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride (CID 73426784) is azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride.
What is the SMILES notation for azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride?
The canonical SMILES for azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride is CC(C)(C)C(C)(C)N=C([O-])[O-].CCC(C)(C)C(=O)[O-].N.N.O=[N+]([O-])O.[Cl-].[Pt+4].c1ccc2c(c1)cnc1ccccc12.
What is the InChIKey of azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride?
The InChIKey is VZKINOCTVQHCNF-UHFFFAOYSA-J. The full InChI is InChI=1S/C13H9N.C8H17NO2.C6H12O2.ClH.HNO3.2H3N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-7(2,3)8(4,5)9-6(10)11;1-4-6(2,3)5(7)8;;2-1(3)4;;;/h1-9H;1-5H3,(H2,9,10,11);4H2,1-3H3,(H,7,8);1H;(H,2,3,4);2*1H3;/q;;;;;;;+4/p-4.
What are the key properties of azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride?
azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride has a molecular weight of 779.19 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride is sourced from PubChem (CID 73426784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).