N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline

C24H17Br2NS — CID 67494789

IUPACN,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(/C=C/c3cccs3)cc2)cc1
InChIInChI=1S/C24H17Br2NS/c25-19-6-12-22(13-7-19)27(23-14-8-20(26)9-15-23)21-10-3-18(4-11-21)5-16-24-2-1-17-28-24/h1-17H/b16-5+
InChIKeyWQAVELDNLGLQSH-FZSIALSZSA-N
MW511.28 g/mol
LogP8.91
Rot. Bonds5

About N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline

N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline (PubChem CID 67494789) has the molecular formula C24H17Br2NS and a molecular weight of 511.28 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline
PubChem CID67494789
Molecular FormulaC24H17Br2NS
Molecular Weight511.28 g/mol
Exact Mass508.94
IUPAC NameN,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(/C=C/c3cccs3)cc2)cc1
InChIInChI=1S/C24H17Br2NS/c25-19-6-12-22(13-7-19)27(23-14-8-20(26)9-15-23)21-10-3-18(4-11-21)5-16-24-2-1-17-28-24/h1-17H/b16-5+
InChIKeyWQAVELDNLGLQSH-FZSIALSZSA-N
XLogP8.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.28
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849
N,N-diphenyl-3-[(E)-2-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]aniline
CID 20603581
2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol
CID 56646588
2-[(E)-2-(4-fluorophenyl)ethenyl]thiophene
CID 101247141
4-[4-[(E)-2-(2,3-dihydrothiophen-2-yl)ethenyl]phenyl]-N,N-bis[4-[4-[(E)-2-thiophen-2-ylethenyl]phenyl]phenyl]aniline
CID 89174769
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 89344655
3-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 20603543
5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol
CID 58914188
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline?
The IUPAC name of N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline (CID 67494789) is N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(/C=C/c3cccs3)cc2)cc1.
What is the InChIKey of N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline?
The InChIKey is WQAVELDNLGLQSH-FZSIALSZSA-N. The full InChI is InChI=1S/C24H17Br2NS/c25-19-6-12-22(13-7-19)27(23-14-8-20(26)9-15-23)21-10-3-18(4-11-21)5-16-24-2-1-17-28-24/h1-17H/b16-5+.
What are the key properties of N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline?
N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline has a molecular weight of 511.28 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline is sourced from PubChem (CID 67494789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).