2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C54H45Cl2N11O11PtRu — CID 139250786

IUPAC2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCl[Pt]Cl.O=C(O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H15N5O3.C10H16N2O8.2C10H8N2.2ClH.Pt.Ru/c30-23(15-5-9-25-19(12-15)20-13-16(24(31)32)6-10-26-20)29-18-11-14-3-1-7-27-21(14)22-17(18)4-2-8-28-22;13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-13H,(H,29,30)(H,31,32);1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1-8H;2*1H;;/q;;;;;;2*+2/p-4
InChIKeyRPSZKUNYGVGWIO-UHFFFAOYSA-J
MW1391.07 g/mol
LogP5.11
Rot. Bonds17

About 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 139250786) has the molecular formula C54H45Cl2N11O11PtRu and a molecular weight of 1391.07 g/mol. Its IUPAC name is 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

Compound Name2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
PubChem CID139250786
Molecular FormulaC54H45Cl2N11O11PtRu
Molecular Weight1391.07 g/mol
Exact Mass1390.14
IUPAC Name2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCl[Pt]Cl.O=C(O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C24H15N5O3.C10H16N2O8.2C10H8N2.2ClH.Pt.Ru/c30-23(15-5-9-25-19(12-15)20-13-16(24(31)32)6-10-26-20)29-18-11-14-3-1-7-27-21(14)22-17(18)4-2-8-28-22;13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-13H,(H,29,30)(H,31,32);1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1-8H;2*1H;;/q;;;;;;2*+2/p-4
InChIKeyRPSZKUNYGVGWIO-UHFFFAOYSA-J
XLogP5.11
TPSA330.86 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001391.07
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+) with MolForge

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Related Compounds

Pyrazino[2,3-f][1,10]phenanthroline-7,10-dicarboxylic acid
CID 10829488
11-Carboxydipyrido[3,2-a:2',3'-c]phenazine
CID 11221079
Quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid
CID 91524930
Vanadium phenanthrolinate
CID 129794847
Ruthenium phenanthrolinate
CID 129801043
Iron(II) tris-(1,10-phenanthrolinate) perchlorate
CID 129849860
Dipyridophenazine-11-carboxylic acid
CID 129852464
1,10-Phenanthrolinium-6-carboxypyridine-2-carboxylate-1,10-phenanthroline-pyridine-2,6-dicarboxylic acid-ethanol-water (1/1/1/1/1/1)
CID 139068399
10,11,12,13-Tetrahydro-4,5,9,14-tetraazadibenz[a,c]anthracene-benzene-1,4-dicarboxylic acid (2/1)
CID 139075355
bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate
CID 139250774
Dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate
CID 139250776
Dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 139250782

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The IUPAC name of 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 139250786) is 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+).
What is the SMILES notation for 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The canonical SMILES for 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is Cl[Pt]Cl.O=C(O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The InChIKey is RPSZKUNYGVGWIO-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H15N5O3.C10H16N2O8.2C10H8N2.2ClH.Pt.Ru/c30-23(15-5-9-25-19(12-15)20-13-16(24(31)32)6-10-26-20)29-18-11-14-3-1-7-27-21(14)22-17(18)4-2-8-28-22;13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-13H,(H,29,30)(H,31,32);1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1-8H;2*1H;;/q;;;;;;2*+2/p-4.
What are the key properties of 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 1391.07 g/mol, XLogP of 5.11, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 139250786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).