copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride

C29H21ClCuN4O — CID 71476764

IUPACcopper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride
SMILES[Cl-].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C17H14N2O.C12H8N2.ClH.Cu/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-10,12,20H,11H2;1-8H;1H;/q;;;+2/p-2/b18-12+;;;
InChIKeyIZOPWPWBAPEIIO-KMDBKMSFSA-L
MW540.51 g/mol
LogP2.71
Rot. Bonds3

About copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride

copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride (PubChem CID 71476764) has the molecular formula C29H21ClCuN4O and a molecular weight of 540.51 g/mol. Its IUPAC name is copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride.

Molecular Properties

Compound Namecopper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride
PubChem CID71476764
Molecular FormulaC29H21ClCuN4O
Molecular Weight540.51 g/mol
Exact Mass539.07
IUPAC Namecopper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride
SMILES[Cl-].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C17H14N2O.C12H8N2.ClH.Cu/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-10,12,20H,11H2;1-8H;1H;/q;;;+2/p-2/b18-12+;;;
InChIKeyIZOPWPWBAPEIIO-KMDBKMSFSA-L
XLogP2.71
TPSA74.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Dibenzo[f,h]quinolin-7-ol
CID 219962
1-(Quinolin-3-ylaminomethyl)-naphthalen-2-ol
CID 951184
2-Hydroxy-1-naphthaldehyde 8-quinolinylhydrazone
CID 135425067
1-Hydroxy-2-naphthaldehyde 8-quinolinylhydrazone
CID 135498018
1-(4-Methoxyphenyl)-3-naphthalen-1-ylbenzo[f][1,7]naphthyridine
CID 137647266
1-(4-Methoxyphenyl)-3-naphthalen-1-ylbenzo[f][1,7]naphthyridine;hydrochloride
CID 137650520
3-[3-(4-Methylpiperazin-1-yl)quinolin-5-yl]phenol
CID 50997455
Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
12-Oxa-23,26-diazahexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(26),2(11),3,5,7,9,14,16(25),17,19,21,23-dodecaene
CID 132849955
3-[2,4-Bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137651159
1-(4-Methoxyphenyl)-3-naphthalen-2-ylbenzo[f][1,7]naphthyridine
CID 137652202
3-(4-Methoxynaphthalen-1-yl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137652530

Frequently Asked Questions

What is the IUPAC name of copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride?
The IUPAC name of copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride (CID 71476764) is copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride.
What is the SMILES notation for copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride?
The canonical SMILES for copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride is [Cl-].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride?
The InChIKey is IZOPWPWBAPEIIO-KMDBKMSFSA-L. The full InChI is InChI=1S/C17H14N2O.C12H8N2.ClH.Cu/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-10,12,20H,11H2;1-8H;1H;/q;;;+2/p-2/b18-12+;;;.
What are the key properties of copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride?
copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride has a molecular weight of 540.51 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,10-phenanthroline;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;chloride is sourced from PubChem (CID 71476764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).