2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene

C23H28S — CID 175286693

IUPAC2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene
SMILESCCCCC(CC)CCc1ccc(-c2cccc3ccccc23)s1
InChIInChI=1S/C23H28S/c1-3-5-9-18(4-2)14-15-20-16-17-23(24-20)22-13-8-11-19-10-6-7-12-21(19)22/h6-8,10-13,16-18H,3-5,9,14-15H2,1-2H3
InChIKeySGAPJWODALKXRK-UHFFFAOYSA-N
MW336.54 g/mol
LogP7.72
Rot. Bonds8

About 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene

2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene (PubChem CID 175286693) has the molecular formula C23H28S and a molecular weight of 336.54 g/mol. Its IUPAC name is 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene.

Molecular Properties

Compound Name2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene
PubChem CID175286693
Molecular FormulaC23H28S
Molecular Weight336.54 g/mol
Exact Mass336.19
IUPAC Name2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene
SMILESCCCCC(CC)CCc1ccc(-c2cccc3ccccc23)s1
InChIInChI=1S/C23H28S/c1-3-5-9-18(4-2)14-15-20-16-17-23(24-20)22-13-8-11-19-10-6-7-12-21(19)22/h6-8,10-13,16-18H,3-5,9,14-15H2,1-2H3
InChIKeySGAPJWODALKXRK-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-naphthalen-1-ylthiophen-2-yl)methanamine
CID 43154300
2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
2,5-bis(2-decyltetradecyl)-1,4-bis[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-bis(2-decyltetradecyl)-1,4-bis[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-bis(2-decyltetradecyl)-1,4-bis[5-[5-(5-naphthalen-2-ylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 159990882
2-hexyl-5-[12-(5-hexylthiophen-2-yl)-4-pentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1,3,5,7,9(18),10(17),11,13,15-nonaenyl]thiophene
CID 102189823
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
CID 130392686
2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine
CID 57103358
2-icosyl-5-[5-(2-octyldodecyl)thiophen-2-yl]thiophene
CID 24746555
5,10-bis(2-ethylhexyl)-3,8-difluoro-2,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]indolo[3,2-b]indole
CID 153408881
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
2-hexyl-5-[5-[5-[13-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pentacen-6-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 101482940
1-(8-ethyltriacont-4-enyl)naphthalene
CID 173002190
2,6-bis(3-ethylheptyl)naphthalene
CID 91473805

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene?
The IUPAC name of 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene (CID 175286693) is 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene.
What is the SMILES notation for 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene?
The canonical SMILES for 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene is CCCCC(CC)CCc1ccc(-c2cccc3ccccc23)s1.
What is the InChIKey of 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene?
The InChIKey is SGAPJWODALKXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28S/c1-3-5-9-18(4-2)14-15-20-16-17-23(24-20)22-13-8-11-19-10-6-7-12-21(19)22/h6-8,10-13,16-18H,3-5,9,14-15H2,1-2H3.
What are the key properties of 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene?
2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene has a molecular weight of 336.54 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene is sourced from PubChem (CID 175286693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).