2,5-bis(3,5-diphenylphenyl)thiophene

C40H28S — CID 175285531

IUPAC2,5-bis(3,5-diphenylphenyl)thiophene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)s3)c2)cc1
InChIInChI=1S/C40H28S/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-21-22-40(41-39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H
InChIKeyXANKSPBFSMFNAY-UHFFFAOYSA-N
MW540.73 g/mol
LogP11.75
Rot. Bonds6

About 2,5-bis(3,5-diphenylphenyl)thiophene

2,5-bis(3,5-diphenylphenyl)thiophene (PubChem CID 175285531) has the molecular formula C40H28S and a molecular weight of 540.73 g/mol. Its IUPAC name is 2,5-bis(3,5-diphenylphenyl)thiophene.

Molecular Properties

Compound Name2,5-bis(3,5-diphenylphenyl)thiophene
PubChem CID175285531
Molecular FormulaC40H28S
Molecular Weight540.73 g/mol
Exact Mass540.19
IUPAC Name2,5-bis(3,5-diphenylphenyl)thiophene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)s3)c2)cc1
InChIInChI=1S/C40H28S/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-21-22-40(41-39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H
InChIKeyXANKSPBFSMFNAY-UHFFFAOYSA-N
XLogP11.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.73
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
CID 11734344
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
CID 139982056
2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 86000641
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3,5-diphenylphenyl)thiophene?
The IUPAC name of 2,5-bis(3,5-diphenylphenyl)thiophene (CID 175285531) is 2,5-bis(3,5-diphenylphenyl)thiophene.
What is the SMILES notation for 2,5-bis(3,5-diphenylphenyl)thiophene?
The canonical SMILES for 2,5-bis(3,5-diphenylphenyl)thiophene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)s3)c2)cc1.
What is the InChIKey of 2,5-bis(3,5-diphenylphenyl)thiophene?
The InChIKey is XANKSPBFSMFNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28S/c1-5-13-29(14-6-1)33-23-34(30-15-7-2-8-16-30)26-37(25-33)39-21-22-40(41-39)38-27-35(31-17-9-3-10-18-31)24-36(28-38)32-19-11-4-12-20-32/h1-28H.
What are the key properties of 2,5-bis(3,5-diphenylphenyl)thiophene?
2,5-bis(3,5-diphenylphenyl)thiophene has a molecular weight of 540.73 g/mol, XLogP of 11.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3,5-diphenylphenyl)thiophene is sourced from PubChem (CID 175285531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).