2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene

C26H22S3 — CID 134863993

IUPAC2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)CSC1
InChIInChI=1S/C26H22S3/c1-17-21(13-25(28-17)19-9-5-3-6-10-19)23-15-27-16-24(23)22-14-26(29-18(22)2)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyDLVGFSVGADRBRV-UHFFFAOYSA-N
MW430.66 g/mol
LogP8.42
Rot. Bonds4

About 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene

2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene (PubChem CID 134863993) has the molecular formula C26H22S3 and a molecular weight of 430.66 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene
PubChem CID134863993
Molecular FormulaC26H22S3
Molecular Weight430.66 g/mol
Exact Mass430.09
IUPAC Name2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)CSC1
InChIInChI=1S/C26H22S3/c1-17-21(13-25(28-17)19-9-5-3-6-10-19)23-15-27-16-24(23)22-14-26(29-18(22)2)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyDLVGFSVGADRBRV-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene?
The IUPAC name of 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene (CID 134863993) is 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene.
What is the SMILES notation for 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene?
The canonical SMILES for 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene is Cc1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)CSC1.
What is the InChIKey of 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene?
The InChIKey is DLVGFSVGADRBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22S3/c1-17-21(13-25(28-17)19-9-5-3-6-10-19)23-15-27-16-24(23)22-14-26(29-18(22)2)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene?
2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene has a molecular weight of 430.66 g/mol, XLogP of 8.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methyl-5-phenylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-phenylthiophene is sourced from PubChem (CID 134863993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).