copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline

C31H24CuN4O3 — CID 139082795

IUPACcopper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
SMILESCO.[Cu+2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H14N2O2.C12H8N2.CH4O.Cu/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2;/h1-12,21H,(H,20,22);1-8H;2H,1H3;/q;;;+2/p-2/b19-12+;;;
InChIKeyRZMXCFZAOOLVHY-VEWWMAHHSA-L
MW564.10 g/mol
LogP4.44
Rot. Bonds3

About copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline

copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline (PubChem CID 139082795) has the molecular formula C31H24CuN4O3 and a molecular weight of 564.10 g/mol. Its IUPAC name is copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline.

Molecular Properties

Compound Namecopper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
PubChem CID139082795
Molecular FormulaC31H24CuN4O3
Molecular Weight564.10 g/mol
Exact Mass563.11
IUPAC Namecopper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
SMILESCO.[Cu+2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H14N2O2.C12H8N2.CH4O.Cu/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2;/h1-12,21H,(H,20,22);1-8H;2H,1H3;/q;;;+2/p-2/b19-12+;;;
InChIKeyRZMXCFZAOOLVHY-VEWWMAHHSA-L
XLogP4.44
TPSA116.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.10
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
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
1-Pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
CID 137348646
2-Naphthalenol, 1-[(8-quinolinylimino)methyl]-
CID 4863497
Bis(10-hydroxybenzo[H]quinolinato)beryllium
CID 15333273
(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol
CID 136672961
Europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667430
Sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667438
Sodium;europium;[4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;4,4,4-trifluoro-1-phenylbutane-1,3-diol
CID 58667440
Europium;hydroxy-[4-[7-[4-[hydroxy(oxo)phosphaniumyl]oxyphenyl]-1,10-phenanthrolin-4-yl]phenoxy]-oxophosphanium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 60093701
[1-(1,10-Phenanthrolin-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate
CID 142488001

Frequently Asked Questions

What is the IUPAC name of copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline?
The IUPAC name of copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline (CID 139082795) is copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline.
What is the SMILES notation for copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline?
The canonical SMILES for copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline is CO.[Cu+2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline?
The InChIKey is RZMXCFZAOOLVHY-VEWWMAHHSA-L. The full InChI is InChI=1S/C18H14N2O2.C12H8N2.CH4O.Cu/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2;/h1-12,21H,(H,20,22);1-8H;2H,1H3;/q;;;+2/p-2/b19-12+;;;.
What are the key properties of copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline?
copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline has a molecular weight of 564.10 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methanol;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline is sourced from PubChem (CID 139082795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).