copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide

C84H122Cu3N12O7 — CID 172965773

IUPACcopper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide
SMILESC=O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=Cc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.O=Cc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.Oc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.[Cu].[Cu].[Cu]
InChIInChI=1S/2C20H16N4O2.C19H16N4O2.12C2H6.CH2O.3Cu/c2*25-14-16-10-4-5-11-17(16)21-23-20(15-8-2-1-3-9-15)24-22-18-12-6-7-13-19(18)26;24-17-12-6-4-10-15(17)20-22-19(14-8-2-1-3-9-14)23-21-16-11-5-7-13-18(16)25;13*1-2;;;/h2*1-14,22,26H;1-13,20,24-25H;12*1-2H3;1H2;;;/b2*23-21+,24-20-;22-19-,23-21+;;;;;;;;;;;;;;;;
InChIKeyQXUSFKZFQYKLDB-GVKDPCLNSA-N
MW1602.61 g/mol
LogP26.30
Rot. Bonds14

About copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide

copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide (PubChem CID 172965773) has the molecular formula C84H122Cu3N12O7 and a molecular weight of 1602.61 g/mol. Its IUPAC name is copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide.

Molecular Properties

Compound Namecopper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide
PubChem CID172965773
Molecular FormulaC84H122Cu3N12O7
Molecular Weight1602.61 g/mol
Exact Mass1599.74
IUPAC Namecopper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide
SMILESC=O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=Cc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.O=Cc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.Oc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.[Cu].[Cu].[Cu]
InChIInChI=1S/2C20H16N4O2.C19H16N4O2.12C2H6.CH2O.3Cu/c2*25-14-16-10-4-5-11-17(16)21-23-20(15-8-2-1-3-9-15)24-22-18-12-6-7-13-19(18)26;24-17-12-6-4-10-15(17)20-22-19(14-8-2-1-3-9-14)23-21-16-11-5-7-13-18(16)25;13*1-2;;;/h2*1-14,22,26H;1-13,20,24-25H;12*1-2H3;1H2;;;/b2*23-21+,24-20-;22-19-,23-21+;;;;;;;;;;;;;;;;
InChIKeyQXUSFKZFQYKLDB-GVKDPCLNSA-N
XLogP26.30
TPSA279.46 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001602.61
LogP ≤ 526.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromoethyl)-N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide
CID 137331203
N'-(2-methyl-3-sulfanylanilino)-N-(2-methyl-3-sulfanylphenyl)iminobenzenecarboximidamide
CID 68501982
CID 162394261
CID 162394261
2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid
CID 137207526
ethene;2-hydroxybenzaldehyde
CID 23043417
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
[[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane
CID 169424989
copper;ethane;(2-hydroxyphenyl)-[[[[2-(oxomethyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide
CID 161283848
2-[[2-(methylamino)phenyl]diazenyl]phenol
CID 136646465
2-(propan-2-ylideneamino)benzaldehyde
CID 135040375

Frequently Asked Questions

What is the IUPAC name of copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide?
The IUPAC name of copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide (CID 172965773) is copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide.
What is the SMILES notation for copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide?
The canonical SMILES for copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide is C=O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=Cc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.O=Cc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.Oc1ccccc1/N=N/C(=N\Nc1ccccc1O)c1ccccc1.[Cu].[Cu].[Cu].
What is the InChIKey of copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide?
The InChIKey is QXUSFKZFQYKLDB-GVKDPCLNSA-N. The full InChI is InChI=1S/2C20H16N4O2.C19H16N4O2.12C2H6.CH2O.3Cu/c2*25-14-16-10-4-5-11-17(16)21-23-20(15-8-2-1-3-9-15)24-22-18-12-6-7-13-19(18)26;24-17-12-6-4-10-15(17)20-22-19(14-8-2-1-3-9-14)23-21-16-11-5-7-13-18(16)25;13*1-2;;;/h2*1-14,22,26H;1-13,20,24-25H;12*1-2H3;1H2;;;/b2*23-21+,24-20-;22-19-,23-21+;;;;;;;;;;;;;;;;.
What are the key properties of copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide?
copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide has a molecular weight of 1602.61 g/mol, XLogP of 26.30, 14 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide is sourced from PubChem (CID 172965773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).