copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate

C46H32CuN4O4 — CID 58843816

IUPACcopper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C(=O)OC)c3ccccc3n2)nc2ccccc12.[Cu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C22H16N2O4.Cu/c1-3-7-17(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;1-27-21(25)15-11-19(23-17-9-5-3-7-13(15)17)20-12-16(22(26)28-2)14-8-4-6-10-18(14)24-20;/h1-16H;3-12H,1-2H3;
InChIKeyZKEWKAYAKYRIBS-UHFFFAOYSA-N
MW768.33 g/mol
LogP10.14
Rot. Bonds5

About copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate

copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate (PubChem CID 58843816) has the molecular formula C46H32CuN4O4 and a molecular weight of 768.33 g/mol. Its IUPAC name is copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namecopper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
PubChem CID58843816
Molecular FormulaC46H32CuN4O4
Molecular Weight768.33 g/mol
Exact Mass767.17
IUPAC Namecopper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C(=O)OC)c3ccccc3n2)nc2ccccc12.[Cu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C22H16N2O4.Cu/c1-3-7-17(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;1-27-21(25)15-11-19(23-17-9-5-3-7-13(15)17)20-12-16(22(26)28-2)14-8-4-6-10-18(14)24-20;/h1-16H;3-12H,1-2H3;
InChIKeyZKEWKAYAKYRIBS-UHFFFAOYSA-N
XLogP10.14
TPSA104.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.33
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 9-[4-[4-[4-(3-methoxycarbonyl-1-methylpyrido[3,4-b]indol-9-yl)butyl]piperazin-1-yl]butyl]-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 145960414
Methyl 9-[4-[2-[4-(3-methoxycarbonyl-1-phenylpyrido[3,4-b]indol-9-yl)butyl-methylamino]ethyl-methylamino]butyl]-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 145961159
Dimethyl 11-((1,1'-biphenyl)-4-ylcarbonyl)pyrrolo(1,2-A)(1,10)phenanthroline-9,10-dicarboxylate
CID 45051069
Ethyl 9-[5-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539200
Ethyl 9-[6-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539242
Methyl 9-[3-[4-[3-(3-methoxycarbonyl-1-phenylpyrido[3,4-b]indol-9-yl)propyl]piperazin-1-yl]propyl]-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 145962268
Methyl 9-[4-[4-[4-(3-methoxycarbonyl-1-phenylpyrido[3,4-b]indol-9-yl)butyl]piperazin-1-yl]butyl]-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 145963404
5-[9-[(2-Methylphenyl)methyl]pyrido[3,4-b]indole-3-carbonyl]oxypentyl 9-[(2-methylphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 171345226
6-[9-(3-Phenylpropyl)pyrido[3,4-b]indole-3-carbonyl]oxyhexyl 9-(3-phenylpropyl)pyrido[3,4-b]indole-3-carboxylate
CID 101886029
4-(9-Benzylpyrido[3,4-b]indole-3-carbonyl)oxybutyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 122179600
Dimethyl 4,4'-(1,10-phenanthroline-3,8-diyl)dibenzoate
CID 129280113
Methyl 2-phenyl-1,10-phenanthroline-4-carboxylate
CID 170564940

Frequently Asked Questions

What is the IUPAC name of copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate?
The IUPAC name of copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate (CID 58843816) is copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate?
The canonical SMILES for copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate is COC(=O)c1cc(-c2cc(C(=O)OC)c3ccccc3n2)nc2ccccc12.[Cu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate?
The InChIKey is ZKEWKAYAKYRIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.C22H16N2O4.Cu/c1-3-7-17(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;1-27-21(25)15-11-19(23-17-9-5-3-7-13(15)17)20-12-16(22(26)28-2)14-8-4-6-10-18(14)24-20;/h1-16H;3-12H,1-2H3;.
What are the key properties of copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate?
copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate has a molecular weight of 768.33 g/mol, XLogP of 10.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4,7-diphenyl-1,10-phenanthroline;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 58843816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).