copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol

C26H28CuN2O4 — CID 135459890

About copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol

copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol (PubChem CID 135459890) has the molecular formula C26H28CuN2O4 and a molecular weight of 496.07 g/mol. Its IUPAC name is copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol.

Molecular Properties

• Compound Name: copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol
• PubChem CID: 135459890
• Molecular Formula: C26H28CuN2O4
• Molecular Weight: 496.07 g/mol
• Exact Mass: 495.13
• IUPAC Name: copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol
• SMILES: C/C(C=C(O)C=C(O)c1ccccc1)=N/CC/N=C(/C)C=C(O)C=C(O)c1ccccc1.[Cu]
• InChI: InChI=1S/C26H28N2O4.Cu/c1-19(15-23(29)17-25(31)21-9-5-3-6-10-21)27-13-14-28-20(2)16-24(30)18-26(32)22-11-7-4-8-12-22;/h3-12,15-18,29-32H,13-14H2,1-2H3;/b23-15?,24-16?,25-17?,26-18?,27-19-,28-20-
• InChIKey: JZAHSDJZVVCSFF-VQDOCTEVSA-N
• XLogP: 5.99
• TPSA: 105.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.07
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol?

The IUPAC name of copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol (CID 135459890) is copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol.

What is the SMILES notation for copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol?

The canonical SMILES for copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol is C/C(C=C(O)C=C(O)c1ccccc1)=N/CC/N=C(/C)C=C(O)C=C(O)c1ccccc1.[Cu].

What is the InChIKey of copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol?

The InChIKey is JZAHSDJZVVCSFF-VQDOCTEVSA-N. The full InChI is InChI=1S/C26H28N2O4.Cu/c1-19(15-23(29)17-25(31)21-9-5-3-6-10-21)27-13-14-28-20(2)16-24(30)18-26(32)22-11-7-4-8-12-22;/h3-12,15-18,29-32H,13-14H2,1-2H3;/b23-15?,24-16?,25-17?,26-18?,27-19-,28-20-;.

What are the key properties of copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol?

copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol has a molecular weight of 496.07 g/mol, XLogP of 5.99, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper;5-[2-[(4,6-dihydroxy-6-phenylhexa-3,5-dien-2-ylidene)amino]ethylimino]-1-phenylhexa-1,3-diene-1,3-diol is sourced from PubChem (CID 135459890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).