6-(naphthalen-2-ylmethyl)-1-benzothiophene

C19H14S — CID 123722451

IUPAC6-(naphthalen-2-ylmethyl)-1-benzothiophene
SMILESc1ccc2cc(Cc3ccc4ccsc4c3)ccc2c1
InChIInChI=1S/C19H14S/c1-2-4-18-12-14(5-7-16(18)3-1)11-15-6-8-17-9-10-20-19(17)13-15/h1-10,12-13H,11H2
InChIKeyTZYSWELTSPUKNS-UHFFFAOYSA-N
MW274.39 g/mol
LogP5.65
Rot. Bonds2

About 6-(naphthalen-2-ylmethyl)-1-benzothiophene

6-(naphthalen-2-ylmethyl)-1-benzothiophene (PubChem CID 123722451) has the molecular formula C19H14S and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-(naphthalen-2-ylmethyl)-1-benzothiophene.

Molecular Properties

Compound Name6-(naphthalen-2-ylmethyl)-1-benzothiophene
PubChem CID123722451
Molecular FormulaC19H14S
Molecular Weight274.39 g/mol
Exact Mass274.08
IUPAC Name6-(naphthalen-2-ylmethyl)-1-benzothiophene
SMILESc1ccc2cc(Cc3ccc4ccsc4c3)ccc2c1
InChIInChI=1S/C19H14S/c1-2-4-18-12-14(5-7-16(18)3-1)11-15-6-8-17-9-10-20-19(17)13-15/h1-10,12-13H,11H2
InChIKeyTZYSWELTSPUKNS-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo(b)naphtho(2,1-d)thiophene
CID 9198
4,6-Dimethyldibenzothiophene
CID 71012
2-(2-Naphthyl)-1-thiaindene
CID 253238
1,3-Diphenylisobenzothiophene
CID 282476
Phenanthro(3,4-b)thiophene
CID 160441
Phenanthro(4,3-b)thiophene
CID 164557
3-(2-Naphthyl)-1-thiaindene
CID 294854
Benzo(b)naphtho(2,3-d)thiophene
CID 9203
Phenanthro(4,5-bcd)thiophene
CID 35463
Dinaphtho(2,1-b:1',2'-d)thiophene
CID 67452
4-Methyldibenzothiophene
CID 30364
Triphenyleno(4,5-bcd)thiophene
CID 50219

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-2-ylmethyl)-1-benzothiophene?
The IUPAC name of 6-(naphthalen-2-ylmethyl)-1-benzothiophene (CID 123722451) is 6-(naphthalen-2-ylmethyl)-1-benzothiophene.
What is the SMILES notation for 6-(naphthalen-2-ylmethyl)-1-benzothiophene?
The canonical SMILES for 6-(naphthalen-2-ylmethyl)-1-benzothiophene is c1ccc2cc(Cc3ccc4ccsc4c3)ccc2c1.
What is the InChIKey of 6-(naphthalen-2-ylmethyl)-1-benzothiophene?
The InChIKey is TZYSWELTSPUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14S/c1-2-4-18-12-14(5-7-16(18)3-1)11-15-6-8-17-9-10-20-19(17)13-15/h1-10,12-13H,11H2.
What are the key properties of 6-(naphthalen-2-ylmethyl)-1-benzothiophene?
6-(naphthalen-2-ylmethyl)-1-benzothiophene has a molecular weight of 274.39 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-2-ylmethyl)-1-benzothiophene is sourced from PubChem (CID 123722451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).