4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline

C26H20Br2N4 — CID 146304254

IUPAC4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
SMILESBrc1ccc(N/N=C/c2ccc(-c3ccc(/C=N/Nc4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H20Br2N4/c27-23-9-13-25(14-10-23)31-29-17-19-1-5-21(6-2-19)22-7-3-20(4-8-22)18-30-32-26-15-11-24(28)12-16-26/h1-18,31-32H/b29-17+,30-18+
InChIKeyXABQQAQCDGDMLN-YAGSLNJISA-N
MW548.28 g/mol
LogP7.77
Rot. Bonds7

About 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline

4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline (PubChem CID 146304254) has the molecular formula C26H20Br2N4 and a molecular weight of 548.28 g/mol. Its IUPAC name is 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
PubChem CID146304254
Molecular FormulaC26H20Br2N4
Molecular Weight548.28 g/mol
Exact Mass546.01
IUPAC Name4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
SMILESBrc1ccc(N/N=C/c2ccc(-c3ccc(/C=N/Nc4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H20Br2N4/c27-23-9-13-25(14-10-23)31-29-17-19-1-5-21(6-2-19)22-7-3-20(4-8-22)18-30-32-26-15-11-24(28)12-16-26/h1-18,31-32H/b29-17+,30-18+
InChIKeyXABQQAQCDGDMLN-YAGSLNJISA-N
XLogP7.77
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.28
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The IUPAC name of 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline (CID 146304254) is 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The canonical SMILES for 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline is Brc1ccc(N/N=C/c2ccc(-c3ccc(/C=N/Nc4ccc(Br)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The InChIKey is XABQQAQCDGDMLN-YAGSLNJISA-N. The full InChI is InChI=1S/C26H20Br2N4/c27-23-9-13-25(14-10-23)31-29-17-19-1-5-21(6-2-19)22-7-3-20(4-8-22)18-30-32-26-15-11-24(28)12-16-26/h1-18,31-32H/b29-17+,30-18+.
What are the key properties of 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline has a molecular weight of 548.28 g/mol, XLogP of 7.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 146304254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).