copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate

C49H45ClCuN4O8 — CID 139131543

IUPACcopper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
SMILESCCOCC.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(-c2ccccc2)[o+]c2ccccc2c1[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C30H26N4.C15H10O3.C4H10O.ClHO4.Cu/c1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-3-5-4-2;2-1(3,4)5;/h1-20H,21-23H2;1-9H,(H-,16,17);3-4H2,1-2H3;(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyQWPOAMJRZVMESQ-UHFFFAOYSA-L
MW916.92 g/mol
LogP5.22
Rot. Bonds11

About copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate

copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate (PubChem CID 139131543) has the molecular formula C49H45ClCuN4O8 and a molecular weight of 916.92 g/mol. Its IUPAC name is copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate.

Molecular Properties

Compound Namecopper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
PubChem CID139131543
Molecular FormulaC49H45ClCuN4O8
Molecular Weight916.92 g/mol
Exact Mass915.22
IUPAC Namecopper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
SMILESCCOCC.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(-c2ccccc2)[o+]c2ccccc2c1[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C30H26N4.C15H10O3.C4H10O.ClHO4.Cu/c1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-3-5-4-2;2-1(3,4)5;/h1-20H,21-23H2;1-9H,(H-,16,17);3-4H2,1-2H3;(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyQWPOAMJRZVMESQ-UHFFFAOYSA-L
XLogP5.22
TPSA200.80 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.92
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate with MolForge

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Related Compounds

cadmium(2+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036960
acetonitrile;2-benzoyloxybenzoate;cadmium(2+);1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036963
Bis[(mu-O,O'-salicylato)(1,10-phenanthroline)copper(II)], acetylsalicylic acid solvate, diaqua solvate
CID 139056948
Bis(mu-4-oxo-2-phenyl-4H-chromen-3-olato)-kappa^3^O^3^:O^3^,O^4^;kappa^3^O^3^,O^4^:O^3^-bis[(2,2'-bipyridine-kappa^2^N,N')zinc(II)] bis(perchlorate)
CID 139062535
Hexakis(2,3-dimethoxybenzoate);bis(neodymium(3+));bis(2-pyridin-2-ylpyridine)
CID 139206084
manganese(3+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 168337215
4-Oxo-2-phenylchromen-3-olate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate
CID 168344484
5-[11-([1]Benzofuro[3,2-b][1]benzofuran-3-yl)triphenylen-2-yl]-2-pyridin-2-ylpyridine
CID 145009526
tris(acetonitrile);bis(iron(3+));bis(4-oxo-2-phenylchromen-3-olate);oxygen(2-);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate
CID 139131542
nickel(2+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139131544
tris(acetonitrile);bis(cobalt(2+));bis(4-oxo-2-phenylchromen-3-olate);bis(1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine);diperchlorate
CID 139131546

Frequently Asked Questions

What is the IUPAC name of copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate?
The IUPAC name of copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate (CID 139131543) is copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate.
What is the SMILES notation for copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate?
The canonical SMILES for copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate is CCOCC.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(-c2ccccc2)[o+]c2ccccc2c1[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate?
The InChIKey is QWPOAMJRZVMESQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H26N4.C15H10O3.C4H10O.ClHO4.Cu/c1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-3-5-4-2;2-1(3,4)5;/h1-20H,21-23H2;1-9H,(H-,16,17);3-4H2,1-2H3;(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate?
copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate has a molecular weight of 916.92 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethoxyethane;2-phenylchromenylium-3,4-diolate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate is sourced from PubChem (CID 139131543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).