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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Related Compounds

2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
CID 139982056
2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
CID 11734344
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 159275595
N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 59650430
2,5-bis(3,5-diphenylphenyl)thiophene
CID 175285531
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 164820260
1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene
CID 102473044
2-(5-bromothiophen-2-yl)-5-phenylfuran
CID 122234638
4-methyl-N-[4-[4-(4-methyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 161438714
4-methyl-N-[4-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 88567826
[4-(5-phenylthiophen-2-yl)phenyl]boronic acid
CID 58281759

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).