3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene

C27H26S — CID 59167085

IUPAC3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2sc(-c3ccc(C)cc3C)cc2-c2ccc(C)cc2C)cc1
InChIInChI=1S/C27H26S/c1-17-6-10-22(11-7-17)27-25(23-12-8-18(2)14-20(23)4)16-26(28-27)24-13-9-19(3)15-21(24)5/h6-16H,1-5H3
InChIKeyVKPAMJFXYMAXAU-UHFFFAOYSA-N
MW382.57 g/mol
LogP8.29
Rot. Bonds3

About 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene

3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene (PubChem CID 59167085) has the molecular formula C27H26S and a molecular weight of 382.57 g/mol. Its IUPAC name is 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene
PubChem CID59167085
Molecular FormulaC27H26S
Molecular Weight382.57 g/mol
Exact Mass382.18
IUPAC Name3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2sc(-c3ccc(C)cc3C)cc2-c2ccc(C)cc2C)cc1
InChIInChI=1S/C27H26S/c1-17-6-10-22(11-7-17)27-25(23-12-8-18(2)14-20(23)4)16-26(28-27)24-13-9-19(3)15-21(24)5/h6-16H,1-5H3
InChIKeyVKPAMJFXYMAXAU-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo(b)naphtho(2,1-d)thiophene
CID 9198
2-(2-Naphthyl)-1-thiaindene
CID 253238
2,5-Diphenylthiophene
CID 74050
1,3-Diphenylisobenzothiophene
CID 282476
Bbifsshxmkxrcb-uhfffaoysa-
CID 3562913
Phenanthro(4,3-b)thiophene
CID 164557
Tetraphenylthiophene
CID 74664
3-(2-Naphthyl)-1-thiaindene
CID 294854
Benzo(b)naphtho(2,3-d)thiophene
CID 9203
Phenanthro(4,5-bcd)thiophene
CID 35463
2,3-Diphenylthiophene
CID 2801736
Triphenyleno(4,5-bcd)thiophene
CID 50219

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene?
The IUPAC name of 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene (CID 59167085) is 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene.
What is the SMILES notation for 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene?
The canonical SMILES for 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene is Cc1ccc(-c2sc(-c3ccc(C)cc3C)cc2-c2ccc(C)cc2C)cc1.
What is the InChIKey of 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene?
The InChIKey is VKPAMJFXYMAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26S/c1-17-6-10-22(11-7-17)27-25(23-12-8-18(2)14-20(23)4)16-26(28-27)24-13-9-19(3)15-21(24)5/h6-16H,1-5H3.
What are the key properties of 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene?
3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene has a molecular weight of 382.57 g/mol, XLogP of 8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene is sourced from PubChem (CID 59167085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).