3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one

C22H15Br2NO — CID 3846238

IUPAC3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(Br)cc1)c1cccc(/N=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C22H15Br2NO/c23-19-9-4-16(5-10-19)8-13-22(26)18-2-1-3-21(14-18)25-15-17-6-11-20(24)12-7-17/h1-15H/b13-8?,25-15+
InChIKeyAHGFQGQMVZNYEI-NYDOAJPGSA-N
MW469.18 g/mol
LogP6.86
Rot. Bonds5

About 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one

3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one (PubChem CID 3846238) has the molecular formula C22H15Br2NO and a molecular weight of 469.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
PubChem CID3846238
Molecular FormulaC22H15Br2NO
Molecular Weight469.18 g/mol
Exact Mass466.95
IUPAC Name3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(Br)cc1)c1cccc(/N=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C22H15Br2NO/c23-19-9-4-16(5-10-19)8-13-22(26)18-2-1-3-21(14-18)25-15-17-6-11-20(24)12-7-17/h1-15H/b13-8?,25-15+
InChIKeyAHGFQGQMVZNYEI-NYDOAJPGSA-N
XLogP6.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.18
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one
CID 3562174
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one
CID 45069295
(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one
CID 122677119
1-(3-bromophenyl)-3-(3,5-dibromophenyl)prop-2-en-1-one
CID 123139887
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
(E)-1-(3-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5346014
3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 3733090
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
1,3-bis(3-azidophenyl)prop-2-en-1-one
CID 54371309
(E)-1-(4-bromophenyl)-3-(3-iodophenyl)prop-2-en-1-one
CID 6016259

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one?
The IUPAC name of 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one (CID 3846238) is 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one is O=C(C=Cc1ccc(Br)cc1)c1cccc(/N=C/c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one?
The InChIKey is AHGFQGQMVZNYEI-NYDOAJPGSA-N. The full InChI is InChI=1S/C22H15Br2NO/c23-19-9-4-16(5-10-19)8-13-22(26)18-2-1-3-21(14-18)25-15-17-6-11-20(24)12-7-17/h1-15H/b13-8?,25-15+.
What are the key properties of 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one?
3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one has a molecular weight of 469.18 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one is sourced from PubChem (CID 3846238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).