cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene

C20H28S — CID 91361276

IUPACcyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene
SMILESC1=CCC=C1.CC.CC.Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C11H10S.C5H6.2C2H6/c1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-2-4-5-3-1;2*1-2/h2-8H,1H3;1-4H,5H2;2*1-2H3
InChIKeyXAKZVKPQKUCNBC-UHFFFAOYSA-N
MW300.51 g/mol
LogP7.28
Rot. Bonds1

About cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene

cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene (PubChem CID 91361276) has the molecular formula C20H28S and a molecular weight of 300.51 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene
PubChem CID91361276
Molecular FormulaC20H28S
Molecular Weight300.51 g/mol
Exact Mass300.19
IUPAC Namecyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene
SMILESC1=CCC=C1.CC.CC.Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C11H10S.C5H6.2C2H6/c1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-2-4-5-3-1;2*1-2/h2-8H,1H3;1-4H,5H2;2*1-2H3
InChIKeyXAKZVKPQKUCNBC-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.51
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclopenta-1,3-diene;ethane;2-methyl-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

ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59469925
4-cyclohexa-1,3-dien-1-yl-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118402803
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
CID 130309277
5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
CID 59779487
[3-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647445
2-methyl-5-[4-[2-[4-[2-[4-(5-methylthiophen-2-yl)phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene
CID 76573319
4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 23386720
2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
CID 11734344
6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine
CID 112559736
(4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine
CID 140590766

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene?
The IUPAC name of cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene (CID 91361276) is cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene?
The canonical SMILES for cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene is C1=CCC=C1.CC.CC.Cc1ccc(-c2ccccc2)s1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene?
The InChIKey is XAKZVKPQKUCNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S.C5H6.2C2H6/c1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-2-4-5-3-1;2*1-2/h2-8H,1H3;1-4H,5H2;2*1-2H3.
What are the key properties of cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene?
cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene has a molecular weight of 300.51 g/mol, XLogP of 7.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene is sourced from PubChem (CID 91361276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).