4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline

C30H18Br3NS3 — CID 91972129

IUPAC4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline
SMILESBrc1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)s4)cc3)c3ccc(-c4ccc(Br)s4)cc3)cc2)s1
InChIInChI=1S/C30H18Br3NS3/c31-28-16-13-25(35-28)19-1-7-22(8-2-19)34(23-9-3-20(4-10-23)26-14-17-29(32)36-26)24-11-5-21(6-12-24)27-15-18-30(33)37-27/h1-18H
InChIKeyQWJSFRTXYYGQPZ-UHFFFAOYSA-N
MW728.39 g/mol
LogP12.63
Rot. Bonds6

About 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline

4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline (PubChem CID 91972129) has the molecular formula C30H18Br3NS3 and a molecular weight of 728.39 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline
PubChem CID91972129
Molecular FormulaC30H18Br3NS3
Molecular Weight728.39 g/mol
Exact Mass724.82
IUPAC Name4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline
SMILESBrc1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)s4)cc3)c3ccc(-c4ccc(Br)s4)cc3)cc2)s1
InChIInChI=1S/C30H18Br3NS3/c31-28-16-13-25(35-28)19-1-7-22(8-2-19)34(23-9-3-20(4-10-23)26-14-17-29(32)36-26)24-11-5-21(6-12-24)27-15-18-30(33)37-27/h1-18H
InChIKeyQWJSFRTXYYGQPZ-UHFFFAOYSA-N
XLogP12.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.39
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]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-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline (CID 91972129) is 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline is Brc1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)s4)cc3)c3ccc(-c4ccc(Br)s4)cc3)cc2)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline?
The InChIKey is QWJSFRTXYYGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Br3NS3/c31-28-16-13-25(35-28)19-1-7-22(8-2-19)34(23-9-3-20(4-10-23)26-14-17-29(32)36-26)24-11-5-21(6-12-24)27-15-18-30(33)37-27/h1-18H.
What are the key properties of 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline?
4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline has a molecular weight of 728.39 g/mol, XLogP of 12.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N,N-bis[4-(5-bromothiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 91972129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).