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

C32H21BrS2 — CID 139982056

IUPAC2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)s2)s1
InChIInChI=1S/C32H21BrS2/c33-32-21-20-31(35-32)30-19-18-29(34-30)28-16-14-27(15-17-28)26-12-10-25(11-13-26)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-21H
InChIKeyOJVMZINYYHYRGF-UHFFFAOYSA-N
MW549.56 g/mol
LogP10.91
Rot. Bonds5

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

2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene (PubChem CID 139982056) has the molecular formula C32H21BrS2 and a molecular weight of 549.56 g/mol. Its IUPAC name is 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
PubChem CID139982056
Molecular FormulaC32H21BrS2
Molecular Weight549.56 g/mol
Exact Mass548.03
IUPAC Name2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)s2)s1
InChIInChI=1S/C32H21BrS2/c33-32-21-20-31(35-32)30-19-18-29(34-30)28-16-14-27(15-17-28)26-12-10-25(11-13-26)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-21H
InChIKeyOJVMZINYYHYRGF-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.56
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 86000641
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-[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-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-(5-phenylthiophen-2-yl)phenyl]boronic acid
CID 58281759

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene (CID 139982056) is 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene is Brc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)s2)s1.
What is the InChIKey of 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The InChIKey is OJVMZINYYHYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrS2/c33-32-21-20-31(35-32)30-19-18-29(34-30)28-16-14-27(15-17-28)26-12-10-25(11-13-26)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-21H.
What are the key properties of 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene has a molecular weight of 549.56 g/mol, XLogP of 10.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 139982056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).