copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium

C23H28CuN2O3+2 — CID 3847635

IUPACcopper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium
SMILES[Cu].[H]/[O+]=C(\C)C/C(=N/CC(O)C/N=C(/C/C(C)=[O+]/[H])c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O3.Cu/c1-17(26)13-22(19-9-5-3-6-10-19)24-15-21(28)16-25-23(14-18(2)27)20-11-7-4-8-12-20;/h3-12,21,28H,13-16H2,1-2H3;/p+2/b24-22-,25-23-;
InChIKeyMBSNXKDMHRGJQS-PBAYCENZSA-P
MW444.03 g/mol
LogP3.23
Rot. Bonds10

About copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium

copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium (PubChem CID 3847635) has the molecular formula C23H28CuN2O3+2 and a molecular weight of 444.03 g/mol. Its IUPAC name is copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium.

Molecular Properties

Compound Namecopper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium
PubChem CID3847635
Molecular FormulaC23H28CuN2O3+2
Molecular Weight444.03 g/mol
Exact Mass443.14
IUPAC Namecopper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium
SMILES[Cu].[H]/[O+]=C(\C)C/C(=N/CC(O)C/N=C(/C/C(C)=[O+]/[H])c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O3.Cu/c1-17(26)13-22(19-9-5-3-6-10-19)24-15-21(28)16-25-23(14-18(2)27)20-11-7-4-8-12-20;/h3-12,21,28H,13-16H2,1-2H3;/p+2/b24-22-,25-23-;
InChIKeyMBSNXKDMHRGJQS-PBAYCENZSA-P
XLogP3.23
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.03
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium with MolForge

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Related Compounds

bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
CID 5165107
dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium
CID 4569372
nickel;bis((1-phenyl-3-phenyliminobutylidene)oxidanium)
CID 5181668
CID 134863341
CID 134863341
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
CID 50909714
1-(4-bromophenyl)-3-[(2S)-2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propyl]imino-3-phenylpropan-1-one
CID 99657564
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
1-(1-phenylpropylideneamino)ethanol
CID 174080576
copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)
CID 50912491
CID 6711846
CID 6711846
(NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine
CID 10469787

Frequently Asked Questions

What is the IUPAC name of copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium?
The IUPAC name of copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium (CID 3847635) is copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium.
What is the SMILES notation for copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium?
The canonical SMILES for copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium is [Cu].[H]/[O+]=C(\C)C/C(=N/CC(O)C/N=C(/C/C(C)=[O+]/[H])c1ccccc1)c1ccccc1.
What is the InChIKey of copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium?
The InChIKey is MBSNXKDMHRGJQS-PBAYCENZSA-P. The full InChI is InChI=1S/C23H26N2O3.Cu/c1-17(26)13-22(19-9-5-3-6-10-19)24-15-21(28)16-25-23(14-18(2)27)20-11-7-4-8-12-20;/h3-12,21,28H,13-16H2,1-2H3;/p+2/b24-22-,25-23-;.
What are the key properties of copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium?
copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium has a molecular weight of 444.03 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium is sourced from PubChem (CID 3847635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).