2-naphthalen-2-yloxydibenzothiophene

C22H14OS — CID 14642240

IUPAC2-naphthalen-2-yloxydibenzothiophene
SMILESc1ccc2cc(Oc3ccc4sc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C22H14OS/c1-2-6-16-13-17(10-9-15(16)5-1)23-18-11-12-22-20(14-18)19-7-3-4-8-21(19)24-22/h1-14H
InChIKeySCHHZDOCDQRZCQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP7.00
Rot. Bonds2

About 2-naphthalen-2-yloxydibenzothiophene

2-naphthalen-2-yloxydibenzothiophene (PubChem CID 14642240) has the molecular formula C22H14OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-naphthalen-2-yloxydibenzothiophene.

Molecular Properties

Compound Name2-naphthalen-2-yloxydibenzothiophene
PubChem CID14642240
Molecular FormulaC22H14OS
Molecular Weight326.42 g/mol
Exact Mass326.08
IUPAC Name2-naphthalen-2-yloxydibenzothiophene
SMILESc1ccc2cc(Oc3ccc4sc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C22H14OS/c1-2-6-16-13-17(10-9-15(16)5-1)23-18-11-12-22-20(14-18)19-7-3-4-8-21(19)24-22/h1-14H
InChIKeySCHHZDOCDQRZCQ-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
2-ethoxydibenzothiophene
CID 102527162
2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene
CID 143526425
2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
6-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427429
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
7-(10-naphthalen-2-ylanthracen-9-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122415909
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 176777625
3-[9-(3-dibenzothiophen-2-ylphenyl)-6-phenylcarbazol-3-yl]oxy-6,9-diphenylcarbazole
CID 71232541
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxydibenzothiophene?
The IUPAC name of 2-naphthalen-2-yloxydibenzothiophene (CID 14642240) is 2-naphthalen-2-yloxydibenzothiophene.
What is the SMILES notation for 2-naphthalen-2-yloxydibenzothiophene?
The canonical SMILES for 2-naphthalen-2-yloxydibenzothiophene is c1ccc2cc(Oc3ccc4sc5ccccc5c4c3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yloxydibenzothiophene?
The InChIKey is SCHHZDOCDQRZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14OS/c1-2-6-16-13-17(10-9-15(16)5-1)23-18-11-12-22-20(14-18)19-7-3-4-8-21(19)24-22/h1-14H.
What are the key properties of 2-naphthalen-2-yloxydibenzothiophene?
2-naphthalen-2-yloxydibenzothiophene has a molecular weight of 326.42 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxydibenzothiophene is sourced from PubChem (CID 14642240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).