3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene

C25H20S — CID 67964023

IUPAC3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene
SMILESCC(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)c2ccccc12
InChIInChI=1S/C25H20S/c1-16(2)18-13-14-19(21-8-4-3-7-20(18)21)17-11-12-23-22-9-5-6-10-24(22)26-25(23)15-17/h3-16H,1-2H3
InChIKeyIXWTYJZVEDEEPP-UHFFFAOYSA-N
MW352.50 g/mol
LogP8.00
Rot. Bonds2

About 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene

3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene (PubChem CID 67964023) has the molecular formula C25H20S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene.

Molecular Properties

Compound Name3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene
PubChem CID67964023
Molecular FormulaC25H20S
Molecular Weight352.50 g/mol
Exact Mass352.13
IUPAC Name3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene
SMILESCC(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)c2ccccc12
InChIInChI=1S/C25H20S/c1-16(2)18-13-14-19(21-8-4-3-7-20(18)21)17-11-12-23-22-9-5-6-10-24(22)26-25(23)15-17/h3-16H,1-2H3
InChIKeyIXWTYJZVEDEEPP-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-pyren-1-yldibenzothiophene
CID 139479782
(2-dibenzothiophen-3-ylphenyl)boronic acid
CID 142752826
3-(2-methyl-3-phenylphenyl)dibenzothiophene
CID 146397483
4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
CID 163797319
5,11-bis(4-dibenzothiophen-3-ylnaphthalen-1-yl)indolo[3,2-b]carbazole
CID 170393963
2-[4-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphthalen-1-yl]dibenzothiophene
CID 138665918
2-[6-([1]benzothiolo[3,2-b][1]benzothiol-2-yl)-1,5-difluoronaphthalen-2-yl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 170275141
3-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene
CID 118516709
3-[4-(2-methylpropyl)phenyl]dibenzothiophene
CID 170134623
3-[10-(10-dibenzothiophen-3-ylanthracen-9-yl)anthracen-9-yl]dibenzothiophene
CID 89273646
4-[3-dibenzothiophen-3-yl-5-(4-phenylnaphthalen-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 171584218
3,7-bis(6-naphthalen-2-ylpyren-1-yl)dibenzothiophene
CID 59758560

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene?
The IUPAC name of 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene (CID 67964023) is 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene.
What is the SMILES notation for 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene?
The canonical SMILES for 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene is CC(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)c2ccccc12.
What is the InChIKey of 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene?
The InChIKey is IXWTYJZVEDEEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20S/c1-16(2)18-13-14-19(21-8-4-3-7-20(18)21)17-11-12-23-22-9-5-6-10-24(22)26-25(23)15-17/h3-16H,1-2H3.
What are the key properties of 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene?
3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene has a molecular weight of 352.50 g/mol, XLogP of 8.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene is sourced from PubChem (CID 67964023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).