2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene

C24H15BrS3 — CID 86000641

IUPAC2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)s3)s2)s1
InChIInChI=1S/C24H15BrS3/c25-24-15-14-23(28-24)22-13-12-21(27-22)20-11-10-19(26-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H
InChIKeyUTWRFKBRVBGZPH-UHFFFAOYSA-N
MW479.49 g/mol
LogP9.30
Rot. Bonds4

About 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene

2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 86000641) has the molecular formula C24H15BrS3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID86000641
Molecular FormulaC24H15BrS3
Molecular Weight479.49 g/mol
Exact Mass477.95
IUPAC Name2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)s3)s2)s1
InChIInChI=1S/C24H15BrS3/c25-24-15-14-23(28-24)22-13-12-21(27-22)20-11-10-19(26-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H
InChIKeyUTWRFKBRVBGZPH-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.49
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene (CID 86000641) is 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene is Brc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)s3)s2)s1.
What is the InChIKey of 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is UTWRFKBRVBGZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrS3/c25-24-15-14-23(28-24)22-13-12-21(27-22)20-11-10-19(26-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H.
What are the key properties of 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 479.49 g/mol, XLogP of 9.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 86000641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).