1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione

C21H12BrNO3 — CID 136880936

IUPAC1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(/N=C/c3cc(Br)ccc3O)cccc21
InChIInChI=1S/C21H12BrNO3/c22-13-8-9-18(24)12(10-13)11-23-17-7-3-6-16-19(17)21(26)15-5-2-1-4-14(15)20(16)25/h1-11,24H/b23-11+
InChIKeyQBDQXRWLWIDSJY-FOKLQQMPSA-N
MW406.24 g/mol
LogP4.68
Rot. Bonds2

About 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione

1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione (PubChem CID 136880936) has the molecular formula C21H12BrNO3 and a molecular weight of 406.24 g/mol. Its IUPAC name is 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione
PubChem CID136880936
Molecular FormulaC21H12BrNO3
Molecular Weight406.24 g/mol
Exact Mass405.00
IUPAC Name1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(/N=C/c3cc(Br)ccc3O)cccc21
InChIInChI=1S/C21H12BrNO3/c22-13-8-9-18(24)12(10-13)11-23-17-7-3-6-16-19(17)21(26)15-5-2-1-4-14(15)20(16)25/h1-11,24H/b23-11+
InChIKeyQBDQXRWLWIDSJY-FOKLQQMPSA-N
XLogP4.68
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
CID 136825488
4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
CID 710129
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
CID 5140596
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
1-hydroxy-8-nitrosoanthracene-9,10-dione
CID 118601713
[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 3883823
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
CID 135544821

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione?
The IUPAC name of 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione (CID 136880936) is 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione.
What is the SMILES notation for 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione?
The canonical SMILES for 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(/N=C/c3cc(Br)ccc3O)cccc21.
What is the InChIKey of 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione?
The InChIKey is QBDQXRWLWIDSJY-FOKLQQMPSA-N. The full InChI is InChI=1S/C21H12BrNO3/c22-13-8-9-18(24)12(10-13)11-23-17-7-3-6-16-19(17)21(26)15-5-2-1-4-14(15)20(16)25/h1-11,24H/b23-11+.
What are the key properties of 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione?
1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione has a molecular weight of 406.24 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione is sourced from PubChem (CID 136880936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).