azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid

C29H48ClN4O4Pt-2 — CID 160913479

IUPACazanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid
SMILESC.CC(C)(C)CC(C)(C)NC(=O)O.CCC(C)(C)C(=O)O.Cl[Pt].[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.C9H19NO2.C6H12O2.CH4.ClH.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-8(2,3)6-9(4,5)10-7(11)12;1-4-6(2,3)5(7)8;;;;;/h1-9H;10H,6H2,1-5H3,(H,11,12);4H2,1-3H3,(H,7,8);1H4;1H;2*1H2;/q;;;;;2*-1;+1/p-1
InChIKeyMABJRBQPNJCXAT-UHFFFAOYSA-M
MW747.26 g/mol
LogP10.12
Rot. Bonds4

About azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid

azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid (PubChem CID 160913479) has the molecular formula C29H48ClN4O4Pt-2 and a molecular weight of 747.26 g/mol. Its IUPAC name is azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid.

Molecular Properties

Compound Nameazanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid
PubChem CID160913479
Molecular FormulaC29H48ClN4O4Pt-2
Molecular Weight747.26 g/mol
Exact Mass746.30
IUPAC Nameazanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid
SMILESC.CC(C)(C)CC(C)(C)NC(=O)O.CCC(C)(C)C(=O)O.Cl[Pt].[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.C9H19NO2.C6H12O2.CH4.ClH.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-8(2,3)6-9(4,5)10-7(11)12;1-4-6(2,3)5(7)8;;;;;/h1-9H;10H,6H2,1-5H3,(H,11,12);4H2,1-3H3,(H,7,8);1H4;1H;2*1H2;/q;;;;;2*-1;+1/p-1
InChIKeyMABJRBQPNJCXAT-UHFFFAOYSA-M
XLogP10.12
TPSA166.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.26
LogP ≤ 510.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanide;chloroplatinum;ethane-1,2-diol;methane;phenanthridine;hydrate
CID 160790715
phenanthridine
CID 9189
phenanthridine;platinum(2+)
CID 23616726
azane;2,2-dimethylbutanoate;nitric acid;phenanthridine;platinum(4+);2,3,3-trimethylbutan-2-yliminomethanediolate;chloride
CID 73426784
2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
CID 79791371
1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
CID 110497414
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
azanide;pentadecanoate;phenanthridine;platinum(4+);nitrate
CID 73426196
2-phenanthridin-1-ylacetic acid
CID 141175956
2,2-dimethylbutanoic acid;methane
CID 159782886
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-quinolin-3-ylphenyl)propanoic acid
CID 66962000
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446

Frequently Asked Questions

What is the IUPAC name of azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid?
The IUPAC name of azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid (CID 160913479) is azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid.
What is the SMILES notation for azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid?
The canonical SMILES for azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid is C.CC(C)(C)CC(C)(C)NC(=O)O.CCC(C)(C)C(=O)O.Cl[Pt].[NH2-].[NH2-].c1ccc2c(c1)cnc1ccccc12.
What is the InChIKey of azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid?
The InChIKey is MABJRBQPNJCXAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9N.C9H19NO2.C6H12O2.CH4.ClH.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-8(2,3)6-9(4,5)10-7(11)12;1-4-6(2,3)5(7)8;;;;;/h1-9H;10H,6H2,1-5H3,(H,11,12);4H2,1-3H3,(H,7,8);1H4;1H;2*1H2;/q;;;;;2*-1;+1/p-1.
What are the key properties of azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid?
azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid has a molecular weight of 747.26 g/mol, XLogP of 10.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;chloroplatinum;2,2-dimethylbutanoic acid;methane;phenanthridine;2,4,4-trimethylpentan-2-ylcarbamic acid is sourced from PubChem (CID 160913479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).