2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene

C19H18S2 — CID 23386693

IUPAC2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene
SMILESCc1cc(/C=C/c2sc(-c3ccccc3)cc2C)sc1C
InChIInChI=1S/C19H18S2/c1-13-11-17(20-15(13)3)9-10-18-14(2)12-19(21-18)16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+
InChIKeyNIAZWMCSUSCEBH-MDZDMXLPSA-N
MW310.49 g/mol
LogP6.57
Rot. Bonds3

About 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene

2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene (PubChem CID 23386693) has the molecular formula C19H18S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene.

Molecular Properties

Compound Name2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene
PubChem CID23386693
Molecular FormulaC19H18S2
Molecular Weight310.49 g/mol
Exact Mass310.08
IUPAC Name2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene
SMILESCc1cc(/C=C/c2sc(-c3ccccc3)cc2C)sc1C
InChIInChI=1S/C19H18S2/c1-13-11-17(20-15(13)3)9-10-18-14(2)12-19(21-18)16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+
InChIKeyNIAZWMCSUSCEBH-MDZDMXLPSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene?
The IUPAC name of 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene (CID 23386693) is 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene.
What is the SMILES notation for 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene?
The canonical SMILES for 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene is Cc1cc(/C=C/c2sc(-c3ccccc3)cc2C)sc1C.
What is the InChIKey of 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene?
The InChIKey is NIAZWMCSUSCEBH-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18S2/c1-13-11-17(20-15(13)3)9-10-18-14(2)12-19(21-18)16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+.
What are the key properties of 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene?
2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene has a molecular weight of 310.49 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene is sourced from PubChem (CID 23386693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).