5-naphthalen-2-yl-1-benzothiophene

C18H12S — CID 101067943

IUPAC5-naphthalen-2-yl-1-benzothiophene
SMILESc1ccc2cc(-c3ccc4sccc4c3)ccc2c1
InChIInChI=1S/C18H12S/c1-2-4-14-11-15(6-5-13(14)3-1)16-7-8-18-17(12-16)9-10-19-18/h1-12H
InChIKeyVXQKWVYJSBPWBF-UHFFFAOYSA-N
MW260.36 g/mol
LogP5.72
Rot. Bonds1

About 5-naphthalen-2-yl-1-benzothiophene

5-naphthalen-2-yl-1-benzothiophene (PubChem CID 101067943) has the molecular formula C18H12S and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-naphthalen-2-yl-1-benzothiophene.

Molecular Properties

Compound Name5-naphthalen-2-yl-1-benzothiophene
PubChem CID101067943
Molecular FormulaC18H12S
Molecular Weight260.36 g/mol
Exact Mass260.07
IUPAC Name5-naphthalen-2-yl-1-benzothiophene
SMILESc1ccc2cc(-c3ccc4sccc4c3)ccc2c1
InChIInChI=1S/C18H12S/c1-2-4-14-11-15(6-5-13(14)3-1)16-7-8-18-17(12-16)9-10-19-18/h1-12H
InChIKeyVXQKWVYJSBPWBF-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.36
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-2-ylthieno[3,2-b]thiophene
CID 134966612
2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole
CID 166711506
4-(1-benzothiophen-5-yl)isoquinoline
CID 86224261
2,7-bis[4-(1-benzothiophen-5-yl)phenyl]-[1]benzothiolo[6,5-f][1]benzothiole
CID 167099920
3-(1-benzothiophen-5-yl)-1H-pyrrole
CID 67417716
2-(1-benzothiophen-5-yl)-4-chrysen-3-yl-6-phenyl-1,3,5-triazine
CID 159314733
benzo[f]azulene
CID 13065869
5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
CID 122365519
4-(1-benzothiophen-5-yl)-1H-pyrazole
CID 67417702

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-1-benzothiophene?
The IUPAC name of 5-naphthalen-2-yl-1-benzothiophene (CID 101067943) is 5-naphthalen-2-yl-1-benzothiophene.
What is the SMILES notation for 5-naphthalen-2-yl-1-benzothiophene?
The canonical SMILES for 5-naphthalen-2-yl-1-benzothiophene is c1ccc2cc(-c3ccc4sccc4c3)ccc2c1.
What is the InChIKey of 5-naphthalen-2-yl-1-benzothiophene?
The InChIKey is VXQKWVYJSBPWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S/c1-2-4-14-11-15(6-5-13(14)3-1)16-7-8-18-17(12-16)9-10-19-18/h1-12H.
What are the key properties of 5-naphthalen-2-yl-1-benzothiophene?
5-naphthalen-2-yl-1-benzothiophene has a molecular weight of 260.36 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-1-benzothiophene is sourced from PubChem (CID 101067943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).