2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene

C36H24S3 — CID 11734344

IUPAC2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)s4)cc(-c4ccc(-c5ccccc5)s4)c3)s2)cc1
InChIInChI=1S/C36H24S3/c1-4-10-25(11-5-1)31-16-19-34(37-31)28-22-29(35-20-17-32(38-35)26-12-6-2-7-13-26)24-30(23-28)36-21-18-33(39-36)27-14-8-3-9-15-27/h1-24H
InChIKeyGDHKUYBZRNPXQJ-UHFFFAOYSA-N
MW552.79 g/mol
LogP11.87
Rot. Bonds6

About 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene

2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene (PubChem CID 11734344) has the molecular formula C36H24S3 and a molecular weight of 552.79 g/mol. Its IUPAC name is 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene.

Molecular Properties

Compound Name2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
PubChem CID11734344
Molecular FormulaC36H24S3
Molecular Weight552.79 g/mol
Exact Mass552.10
IUPAC Name2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)s4)cc(-c4ccc(-c5ccccc5)s4)c3)s2)cc1
InChIInChI=1S/C36H24S3/c1-4-10-25(11-5-1)31-16-19-34(37-31)28-22-29(35-20-17-32(38-35)26-12-6-2-7-13-26)24-30(23-28)36-21-18-33(39-36)27-14-8-3-9-15-27/h1-24H
InChIKeyGDHKUYBZRNPXQJ-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.79
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(3,5-diphenylphenyl)thiophene
CID 175285531
2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
CID 139982056
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
2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 86000641
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-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
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
[4-(5-phenylthiophen-2-yl)phenyl]boronic acid
CID 58281759
3-phenyl-4-(5-phenylthiophen-2-yl)furan
CID 91337599
2-methyl-5-(5-phenylthiophen-2-yl)-3-[2,3,4,5-tetrafluoro-6-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]phenyl]thiophene
CID 155884668

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene?
The IUPAC name of 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene (CID 11734344) is 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene.
What is the SMILES notation for 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene?
The canonical SMILES for 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)s4)cc(-c4ccc(-c5ccccc5)s4)c3)s2)cc1.
What is the InChIKey of 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene?
The InChIKey is GDHKUYBZRNPXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S3/c1-4-10-25(11-5-1)31-16-19-34(37-31)28-22-29(35-20-17-32(38-35)26-12-6-2-7-13-26)24-30(23-28)36-21-18-33(39-36)27-14-8-3-9-15-27/h1-24H.
What are the key properties of 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene?
2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene has a molecular weight of 552.79 g/mol, XLogP of 11.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene is sourced from PubChem (CID 11734344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).