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

C28H22S2 — CID 90888254

IUPAC2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)cc1-c1ccccc1-c1cc(-c2ccccc2)sc1C
InChIInChI=1S/C28H22S2/c1-19-25(17-27(29-19)21-11-5-3-6-12-21)23-15-9-10-16-24(23)26-18-28(30-20(26)2)22-13-7-4-8-14-22/h3-18H,1-2H3
InChIKeyWIVJRAWWPVGBOR-UHFFFAOYSA-N
MW422.62 g/mol
LogP9.09
Rot. Bonds4

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

2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene (PubChem CID 90888254) has the molecular formula C28H22S2 and a molecular weight of 422.62 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
PubChem CID90888254
Molecular FormulaC28H22S2
Molecular Weight422.62 g/mol
Exact Mass422.12
IUPAC Name2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)cc1-c1ccccc1-c1cc(-c2ccccc2)sc1C
InChIInChI=1S/C28H22S2/c1-19-25(17-27(29-19)21-11-5-3-6-12-21)23-15-9-10-16-24(23)26-18-28(30-20(26)2)22-13-7-4-8-14-22/h3-18H,1-2H3
InChIKeyWIVJRAWWPVGBOR-UHFFFAOYSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene 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

2,3-bis(2-methyl-5-phenylthiophen-3-yl)naphthalene-1,4-dione
CID 101124465
5-(4-bromophenyl)-2-methyl-3-phenylthiophene
CID 156768567
5-phenyl-3-[2-(5-phenyl-2-propan-2-ylthiophen-3-yl)phenyl]-2-propan-2-ylthiophene
CID 153324384
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene
CID 59420001
3-[3,3,4,4,5,5-hexafluoro-2-[5-[5-[5-[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102279973
3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopentene-1-carbaldehyde
CID 59420013
3-[3,3,4,4,5,5-hexafluoro-2-[2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102577266
2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene
CID 143334929
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
5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
CID 134393777
4-[5-methyl-4-[2-[2-methyl-5-[4-(N-phenylanilino)phenyl]thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]-N,N-diphenylaniline
CID 132501286
N,N-diethyl-4-[5-methyl-4-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]aniline
CID 102252305

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene?
The IUPAC name of 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene (CID 90888254) is 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene.
What is the SMILES notation for 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene?
The canonical SMILES for 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene is Cc1sc(-c2ccccc2)cc1-c1ccccc1-c1cc(-c2ccccc2)sc1C.
What is the InChIKey of 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene?
The InChIKey is WIVJRAWWPVGBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22S2/c1-19-25(17-27(29-19)21-11-5-3-6-12-21)23-15-9-10-16-24(23)26-18-28(30-20(26)2)22-13-7-4-8-14-22/h3-18H,1-2H3.
What are the key properties of 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene?
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene has a molecular weight of 422.62 g/mol, XLogP of 9.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene is sourced from PubChem (CID 90888254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).