2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene

C20H18S — CID 18420554

IUPAC2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene
SMILESCCCc1ccc(C2=Cc3c(ccc4ccccc34)C2)s1
InChIInChI=1S/C20H18S/c1-2-5-17-10-11-20(21-17)16-12-15-9-8-14-6-3-4-7-18(14)19(15)13-16/h3-4,6-11,13H,2,5,12H2,1H3
InChIKeyHSGRMDFSYZEXIT-UHFFFAOYSA-N
MW290.43 g/mol
LogP5.95
Rot. Bonds3

About 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene

2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene (PubChem CID 18420554) has the molecular formula C20H18S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene.

Molecular Properties

Compound Name2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene
PubChem CID18420554
Molecular FormulaC20H18S
Molecular Weight290.43 g/mol
Exact Mass290.11
IUPAC Name2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene
SMILESCCCc1ccc(C2=Cc3c(ccc4ccccc34)C2)s1
InChIInChI=1S/C20H18S/c1-2-5-17-10-11-20(21-17)16-12-15-9-8-14-6-3-4-7-18(14)19(15)13-16/h3-4,6-11,13H,2,5,12H2,1H3
InChIKeyHSGRMDFSYZEXIT-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentan-2-yl-3H-cyclopenta[a]naphthalene
CID 173134374
7H-cyclopenta[b]phenanthrene
CID 134821266
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035
2,5-dipropylthiophene
CID 587485
2-methyl-5-(4-naphthalen-2-yl-1H-inden-2-yl)thiophene
CID 18420530
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
2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene
CID 175286693
3-(5-propylthiophen-2-yl)pyridine
CID 143245944
(5-naphthalen-1-ylthiophen-2-yl)methanamine
CID 43154300
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene
CID 71418336
(7aR)-9,9-dipropyl-7,7a,8,10-tetrahydronaphtho[1,2-f]isoindol-9-ium
CID 7302217

Frequently Asked Questions

What is the IUPAC name of 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene?
The IUPAC name of 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene (CID 18420554) is 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene.
What is the SMILES notation for 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene?
The canonical SMILES for 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene is CCCc1ccc(C2=Cc3c(ccc4ccccc34)C2)s1.
What is the InChIKey of 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene?
The InChIKey is HSGRMDFSYZEXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S/c1-2-5-17-10-11-20(21-17)16-12-15-9-8-14-6-3-4-7-18(14)19(15)13-16/h3-4,6-11,13H,2,5,12H2,1H3.
What are the key properties of 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene?
2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene has a molecular weight of 290.43 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-cyclopenta[a]naphthalen-2-yl)-5-propylthiophene is sourced from PubChem (CID 18420554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).