4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline

C24H16Br2N4 — CID 174781230

IUPAC4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline
SMILESBrc1ccc(NN=C2/C(=N/Nc3ccc(Br)cc3)c3cccc4cccc2c34)cc1
InChIInChI=1S/C24H16Br2N4/c25-16-7-11-18(12-8-16)27-29-23-20-5-1-3-15-4-2-6-21(22(15)20)24(23)30-28-19-13-9-17(26)10-14-19/h1-14,27-28H/b29-23+,30-24?
InChIKeyGWXPFWAQEJYGFN-WHXJFJODSA-N
MW520.23 g/mol
LogP7.01
Rot. Bonds4

About 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline

4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline (PubChem CID 174781230) has the molecular formula C24H16Br2N4 and a molecular weight of 520.23 g/mol. Its IUPAC name is 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline.

Molecular Properties

Compound Name4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline
PubChem CID174781230
Molecular FormulaC24H16Br2N4
Molecular Weight520.23 g/mol
Exact Mass517.97
IUPAC Name4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline
SMILESBrc1ccc(NN=C2/C(=N/Nc3ccc(Br)cc3)c3cccc4cccc2c34)cc1
InChIInChI=1S/C24H16Br2N4/c25-16-7-11-18(12-8-16)27-29-23-20-5-1-3-15-4-2-6-21(22(15)20)24(23)30-28-19-13-9-17(26)10-14-19/h1-14,27-28H/b29-23+,30-24?
InChIKeyGWXPFWAQEJYGFN-WHXJFJODSA-N
XLogP7.01
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.23
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline?
The IUPAC name of 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline (CID 174781230) is 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline.
What is the SMILES notation for 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline?
The canonical SMILES for 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline is Brc1ccc(NN=C2/C(=N/Nc3ccc(Br)cc3)c3cccc4cccc2c34)cc1.
What is the InChIKey of 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline?
The InChIKey is GWXPFWAQEJYGFN-WHXJFJODSA-N. The full InChI is InChI=1S/C24H16Br2N4/c25-16-7-11-18(12-8-16)27-29-23-20-5-1-3-15-4-2-6-21(22(15)20)24(23)30-28-19-13-9-17(26)10-14-19/h1-14,27-28H/b29-23+,30-24?.
What are the key properties of 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline?
4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline has a molecular weight of 520.23 g/mol, XLogP of 7.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline is sourced from PubChem (CID 174781230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).