2-(4-bromophenyl)-5-phenylthiophene

C16H11BrS — CID 10313583

IUPAC2-(4-bromophenyl)-5-phenylthiophene
SMILESBrc1ccc(-c2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H11BrS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11H
InChIKeyYMDCOEOZWHXGTM-UHFFFAOYSA-N
MW315.24 g/mol
LogP5.84
Rot. Bonds2

About 2-(4-bromophenyl)-5-phenylthiophene

2-(4-bromophenyl)-5-phenylthiophene (PubChem CID 10313583) has the molecular formula C16H11BrS and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenylthiophene.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-phenylthiophene
PubChem CID10313583
Molecular FormulaC16H11BrS
Molecular Weight315.24 g/mol
Exact Mass313.98
IUPAC Name2-(4-bromophenyl)-5-phenylthiophene
SMILESBrc1ccc(-c2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H11BrS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11H
InChIKeyYMDCOEOZWHXGTM-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-phenylthiophene?
The IUPAC name of 2-(4-bromophenyl)-5-phenylthiophene (CID 10313583) is 2-(4-bromophenyl)-5-phenylthiophene.
What is the SMILES notation for 2-(4-bromophenyl)-5-phenylthiophene?
The canonical SMILES for 2-(4-bromophenyl)-5-phenylthiophene is Brc1ccc(-c2ccc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-phenylthiophene?
The InChIKey is YMDCOEOZWHXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-(4-bromophenyl)-5-phenylthiophene?
2-(4-bromophenyl)-5-phenylthiophene has a molecular weight of 315.24 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-phenylthiophene is sourced from PubChem (CID 10313583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).