2-bromo-5-tritylthiophene

C23H17BrS — CID 134938680

IUPAC2-bromo-5-tritylthiophene
SMILESBrc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C23H17BrS/c24-22-17-16-21(25-22)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyOJFOSXXIEWSTTL-UHFFFAOYSA-N
MW405.36 g/mol
LogP6.89
Rot. Bonds4

About 2-bromo-5-tritylthiophene

2-bromo-5-tritylthiophene (PubChem CID 134938680) has the molecular formula C23H17BrS and a molecular weight of 405.36 g/mol. Its IUPAC name is 2-bromo-5-tritylthiophene.

Molecular Properties

Compound Name2-bromo-5-tritylthiophene
PubChem CID134938680
Molecular FormulaC23H17BrS
Molecular Weight405.36 g/mol
Exact Mass404.02
IUPAC Name2-bromo-5-tritylthiophene
SMILESBrc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C23H17BrS/c24-22-17-16-21(25-22)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyOJFOSXXIEWSTTL-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.36
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-tritylthiophene?
The IUPAC name of 2-bromo-5-tritylthiophene (CID 134938680) is 2-bromo-5-tritylthiophene.
What is the SMILES notation for 2-bromo-5-tritylthiophene?
The canonical SMILES for 2-bromo-5-tritylthiophene is Brc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 2-bromo-5-tritylthiophene?
The InChIKey is OJFOSXXIEWSTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrS/c24-22-17-16-21(25-22)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H.
What are the key properties of 2-bromo-5-tritylthiophene?
2-bromo-5-tritylthiophene has a molecular weight of 405.36 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-tritylthiophene is sourced from PubChem (CID 134938680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).