copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate

C24H15CuN3O5 — CID 170853804

IUPACcopper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate
SMILESO=C(Nc1ccccc1)c1ccc([O-])c(/N=N/c2c([O-])c(C(=O)O)cc3ccccc23)c1.[Cu+2]
InChIInChI=1S/C24H17N3O5.Cu/c28-20-11-10-15(23(30)25-16-7-2-1-3-8-16)13-19(20)26-27-21-17-9-5-4-6-14(17)12-18(22(21)29)24(31)32;/h1-13,28-29H,(H,25,30)(H,31,32);/q;+2/p-2/b27-26+;
InChIKeyLCUIUWIMRZEKNS-JGUILPGDSA-L
MW488.95 g/mol
LogP4.35
Rot. Bonds5

About copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate

copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate (PubChem CID 170853804) has the molecular formula C24H15CuN3O5 and a molecular weight of 488.95 g/mol. Its IUPAC name is copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate.

Molecular Properties

Compound Namecopper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate
PubChem CID170853804
Molecular FormulaC24H15CuN3O5
Molecular Weight488.95 g/mol
Exact Mass488.03
IUPAC Namecopper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate
SMILESO=C(Nc1ccccc1)c1ccc([O-])c(/N=N/c2c([O-])c(C(=O)O)cc3ccccc23)c1.[Cu+2]
InChIInChI=1S/C24H17N3O5.Cu/c28-20-11-10-15(23(30)25-16-7-2-1-3-8-16)13-19(20)26-27-21-17-9-5-4-6-14(17)12-18(22(21)29)24(31)32;/h1-13,28-29H,(H,25,30)(H,31,32);/q;+2/p-2/b27-26+;
InChIKeyLCUIUWIMRZEKNS-JGUILPGDSA-L
XLogP4.35
TPSA137.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

bis(1-[(5-tert-butyl-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate);hydron;iron(3+)
CID 138394542
copper bis(3-carboxy-1-phenyldiazenylnaphthalen-2-olate)
CID 175731451
1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate
CID 136688245
calcium 2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
CID 135487685
calcium [2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]naphthalen-1-yl]methanesulfonate
CID 135666507
calcium;4-[[3-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methylbenzoyl]amino]benzenesulfonic acid;4-[[3-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxidonaphthalen-1-yl]diazenyl]-4-methylbenzoyl]amino]benzenesulfonate
CID 136801620
1-[(3,5-dicarboxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate;didecyl(dimethyl)azanium
CID 161449264
3-hydroxy-N-[3-[3-[[3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenoxy]phenyl]-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 163998747
bis(2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate);methane
CID 167712727
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809
CID 135853525
CID 135853525

Frequently Asked Questions

What is the IUPAC name of copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate?
The IUPAC name of copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate (CID 170853804) is copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate.
What is the SMILES notation for copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate?
The canonical SMILES for copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate is O=C(Nc1ccccc1)c1ccc([O-])c(/N=N/c2c([O-])c(C(=O)O)cc3ccccc23)c1.[Cu+2].
What is the InChIKey of copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate?
The InChIKey is LCUIUWIMRZEKNS-JGUILPGDSA-L. The full InChI is InChI=1S/C24H17N3O5.Cu/c28-20-11-10-15(23(30)25-16-7-2-1-3-8-16)13-19(20)26-27-21-17-9-5-4-6-14(17)12-18(22(21)29)24(31)32;/h1-13,28-29H,(H,25,30)(H,31,32);/q;+2/p-2/b27-26+;.
What are the key properties of copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate?
copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate has a molecular weight of 488.95 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate is sourced from PubChem (CID 170853804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).