4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline

C21H15Br3N2 — CID 3760544

IUPAC4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline
SMILESBrc1ccc(/N=C/C=C(Nc2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H15Br3N2/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19/h1-14,26H/b21-13?,25-14+
InChIKeyQDJWQZZTLWFKHZ-VRQOLBQSSA-N
MW535.08 g/mol
LogP7.83
Rot. Bonds5

About 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline

4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline (PubChem CID 3760544) has the molecular formula C21H15Br3N2 and a molecular weight of 535.08 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline
PubChem CID3760544
Molecular FormulaC21H15Br3N2
Molecular Weight535.08 g/mol
Exact Mass531.88
IUPAC Name4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline
SMILESBrc1ccc(/N=C/C=C(Nc2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H15Br3N2/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19/h1-14,26H/b21-13?,25-14+
InChIKeyQDJWQZZTLWFKHZ-VRQOLBQSSA-N
XLogP7.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.08
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(Z)-1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline
CID 44888728
4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline
CID 6265594
N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 2801837
N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
CID 6174604
4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline
CID 3736689
N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 3579255
N-[(E)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)iminoprop-1-enyl]-4-methoxyaniline
CID 6265596
bis([(Z)-1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide);cobalt(2+)
CID 44888736
copper bis([1-(4-bromophenyl)-3-(4-methylphenyl)iminoprop-1-enyl]-(4-methylphenyl)azanide)
CID 3736141
6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one
CID 139220396
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide
CID 3326849

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline?
The IUPAC name of 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline (CID 3760544) is 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline is Brc1ccc(/N=C/C=C(Nc2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline?
The InChIKey is QDJWQZZTLWFKHZ-VRQOLBQSSA-N. The full InChI is InChI=1S/C21H15Br3N2/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19/h1-14,26H/b21-13?,25-14+.
What are the key properties of 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline?
4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline has a molecular weight of 535.08 g/mol, XLogP of 7.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromophenyl)-3-(4-bromophenyl)iminoprop-1-enyl]aniline is sourced from PubChem (CID 3760544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).