2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium

C179H135N14O11ReRu2S-5 — CID 157477293

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium
SMILESCCC.CCC.Cc1[c-]c2c(ccc3c(-c4ccccc4)cc(C)[c-]c32)c(-c2ccccc2)c1.Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccncc1.S=C=Nc1cc2cccc3c2c2c(cccc12)C3.[CH-]=O.[CH-]=O.[CH-]=O.[Re].[Ru].[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C28H20.4C24H16N2.C16H9NS.C12H8N2O4.C12H10N2O2.C6H5NO2.2C3H8.3CHO.Re.2Ru/c1-19-15-25(21-9-5-3-6-10-21)23-13-14-24-26(22-11-7-4-8-12-22)16-20(2)18-28(24)27(23)17-19;4*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;18-9-17-14-8-12-4-1-3-10-7-11-5-2-6-13(14)16(11)15(10)12;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;8-6(9)5-1-3-7-4-2-5;2*1-3-2;3*1-2;;;/h3-16H,1-2H3;4*1-16H;1-6,8H,7H2;1-6H,(H,15,16)(H,17,18);2-7H,1H3,(H,15,16);1-4H,(H,8,9);2*3H2,1-2H3;3*1H;;;/q-2;;;;;;;;;;;3*-1;;;
InChIKeyGPNCBMCGYHIMIY-UHFFFAOYSA-N
MW3078.55 g/mol
LogP43.12
Rot. Bonds17

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium (PubChem CID 157477293) has the molecular formula C179H135N14O11ReRu2S-5 and a molecular weight of 3078.55 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium
PubChem CID157477293
Molecular FormulaC179H135N14O11ReRu2S-5
Molecular Weight3078.55 g/mol
Exact Mass3078.78
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium
SMILESCCC.CCC.Cc1[c-]c2c(ccc3c(-c4ccccc4)cc(C)[c-]c32)c(-c2ccccc2)c1.Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccncc1.S=C=Nc1cc2cccc3c2c2c(cccc12)C3.[CH-]=O.[CH-]=O.[CH-]=O.[Re].[Ru].[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C28H20.4C24H16N2.C16H9NS.C12H8N2O4.C12H10N2O2.C6H5NO2.2C3H8.3CHO.Re.2Ru/c1-19-15-25(21-9-5-3-6-10-21)23-13-14-24-26(22-11-7-4-8-12-22)16-20(2)18-28(24)27(23)17-19;4*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;18-9-17-14-8-12-4-1-3-10-7-11-5-2-6-13(14)16(11)15(10)12;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;8-6(9)5-1-3-7-4-2-5;2*1-3-2;3*1-2;;;/h3-16H,1-2H3;4*1-16H;1-6,8H,7H2;1-6H,(H,15,16)(H,17,18);2-7H,1H3,(H,15,16);1-4H,(H,8,9);2*3H2,1-2H3;3*1H;;;/q-2;;;;;;;;;;;3*-1;;;
InChIKeyGPNCBMCGYHIMIY-UHFFFAOYSA-N
XLogP43.12
TPSA380.34 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003078.55
LogP ≤ 543.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium with MolForge

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Related Compounds

4-(7-Butyl-9,9-diethylfluoren-2-yl)-2-[4-(7-butyl-9,9-diethylfluoren-2-yl)-2-pyridinyl]pyridine;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);4-(9,9-difluorofluoren-2-yl)-2-[4-(9,9-difluorofluoren-2-yl)-2-pyridinyl]pyridine;bis(ruthenium(2+));tetraisothiocyanate
CID 157987150
Sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide
CID 160669466
Bis(4-carboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);bis(manganese(2+));tetrakis(1,10-phenanthroline);hexahydrate
CID 139147831
Ethanol;bis(manganese(2+));bis(2-methylbenzoate);tetrakis(1,10-phenanthroline);diperchlorate
CID 139162433
Anthracene-9,10-dicarboxylate;bis(cadmium(2+));bis(10-carboxyanthracene-9-carboxylate);tetrakis(1,10-phenanthroline)
CID 139197517
Dicopper;benzene-1,2,4,5-tetracarboxylate;benzene-1,2,4,5-tetracarboxylic acid;tetrakis(1,10-phenanthroline)
CID 139205966
Dodecakis(2-methylbenzoate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+));dihydrate
CID 139207076
[Bis(3,4,7,8-tetramethyl-1,10-phenanthroline)-(5-(4-CO2H)-Ph)-Phen]osmium(II) hexafluorophosphate
CID 165111701
Bis(cadmium(2+));bis(3-carboxyphthalate);tetrakis(1,10-phenanthroline)
CID 168343736
Dicopper;4-(4-carboxylatophenyl)benzoate;tetrakis(1,10-phenanthroline);diazide;pentahydrate
CID 168344091
Distrontium;2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate;bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylate);bis(1,10-phenanthroline-1,10-diium)
CID 168354539
Bis(1,10-phenanthroline-4,7-dicarboxylic acid);ruthenium(2+);diisothiocyanate
CID 20811022

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium (CID 157477293) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium is CCC.CCC.Cc1[c-]c2c(ccc3c(-c4ccccc4)cc(C)[c-]c32)c(-c2ccccc2)c1.Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccncc1.S=C=Nc1cc2cccc3c2c2c(cccc12)C3.[CH-]=O.[CH-]=O.[CH-]=O.[Re].[Ru].[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium?
The InChIKey is GPNCBMCGYHIMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20.4C24H16N2.C16H9NS.C12H8N2O4.C12H10N2O2.C6H5NO2.2C3H8.3CHO.Re.2Ru/c1-19-15-25(21-9-5-3-6-10-21)23-13-14-24-26(22-11-7-4-8-12-22)16-20(2)18-28(24)27(23)17-19;4*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;18-9-17-14-8-12-4-1-3-10-7-11-5-2-6-13(14)16(11)15(10)12;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;8-6(9)5-1-3-7-4-2-5;2*1-3-2;3*1-2;;;/h3-16H,1-2H3;4*1-16H;1-6,8H,7H2;1-6H,(H,15,16)(H,17,18);2-7H,1H3,(H,15,16);1-4H,(H,8,9);2*3H2,1-2H3;3*1H;;;/q-2;;;;;;;;;;;3*-1;;;.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium has a molecular weight of 3078.55 g/mol, XLogP of 43.12, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium is sourced from PubChem (CID 157477293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).