4-bromo-N,N-diphenylthiophen-3-amine

C16H12BrNS — CID 15419001

IUPAC4-bromo-N,N-diphenylthiophen-3-amine
SMILESBrc1cscc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12BrNS/c17-15-11-19-12-16(15)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyYTQANCPLCWUIAQ-UHFFFAOYSA-N
MW330.25 g/mol
LogP5.98
Rot. Bonds3

About 4-bromo-N,N-diphenylthiophen-3-amine

4-bromo-N,N-diphenylthiophen-3-amine (PubChem CID 15419001) has the molecular formula C16H12BrNS and a molecular weight of 330.25 g/mol. Its IUPAC name is 4-bromo-N,N-diphenylthiophen-3-amine.

Molecular Properties

Compound Name4-bromo-N,N-diphenylthiophen-3-amine
PubChem CID15419001
Molecular FormulaC16H12BrNS
Molecular Weight330.25 g/mol
Exact Mass328.99
IUPAC Name4-bromo-N,N-diphenylthiophen-3-amine
SMILESBrc1cscc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12BrNS/c17-15-11-19-12-16(15)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyYTQANCPLCWUIAQ-UHFFFAOYSA-N
XLogP5.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.25
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
3-bromo-N,N-diphenylthiophen-2-amine
CID 167081658
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
CID 175066969
3,4,5-tribromo-N,N-diphenylaniline
CID 147691236
N,N-diphenylaniline;silane
CID 131739129
N-(2-bromophenyl)-N-phenylthiophen-2-amine
CID 155666006
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diphenylthiophen-3-amine?
The IUPAC name of 4-bromo-N,N-diphenylthiophen-3-amine (CID 15419001) is 4-bromo-N,N-diphenylthiophen-3-amine.
What is the SMILES notation for 4-bromo-N,N-diphenylthiophen-3-amine?
The canonical SMILES for 4-bromo-N,N-diphenylthiophen-3-amine is Brc1cscc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-bromo-N,N-diphenylthiophen-3-amine?
The InChIKey is YTQANCPLCWUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNS/c17-15-11-19-12-16(15)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4-bromo-N,N-diphenylthiophen-3-amine?
4-bromo-N,N-diphenylthiophen-3-amine has a molecular weight of 330.25 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diphenylthiophen-3-amine is sourced from PubChem (CID 15419001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).