2,8-dinaphthalen-2-yldibenzothiophene

C32H20S — CID 58971417

IUPAC2,8-dinaphthalen-2-yldibenzothiophene
SMILESc1ccc2cc(-c3ccc4sc5ccc(-c6ccc7ccccc7c6)cc5c4c3)ccc2c1
InChIInChI=1S/C32H20S/c1-3-7-23-17-25(11-9-21(23)5-1)27-13-15-31-29(19-27)30-20-28(14-16-32(30)33-31)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H
InChIKeyUWIWKCTVPSMZQL-UHFFFAOYSA-N
MW436.58 g/mol
LogP9.69
Rot. Bonds2

About 2,8-dinaphthalen-2-yldibenzothiophene

2,8-dinaphthalen-2-yldibenzothiophene (PubChem CID 58971417) has the molecular formula C32H20S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2,8-dinaphthalen-2-yldibenzothiophene.

Molecular Properties

Compound Name2,8-dinaphthalen-2-yldibenzothiophene
PubChem CID58971417
Molecular FormulaC32H20S
Molecular Weight436.58 g/mol
Exact Mass436.13
IUPAC Name2,8-dinaphthalen-2-yldibenzothiophene
SMILESc1ccc2cc(-c3ccc4sc5ccc(-c6ccc7ccccc7c6)cc5c4c3)ccc2c1
InChIInChI=1S/C32H20S/c1-3-7-23-17-25(11-9-21(23)5-1)27-13-15-31-29(19-27)30-20-28(14-16-32(30)33-31)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H
InChIKeyUWIWKCTVPSMZQL-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene
CID 58971382
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
2-(7-dibenzothiophen-2-ylpyren-2-yl)dibenzothiophene
CID 139341252
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819
18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 163943562
2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 176777625
3-N-[3-naphthalen-2-yl-5-(N-phenylanilino)phenyl]-1-N,1-N,5-triphenyl-3-N-(8-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 134198236
2-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 174273171
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497

Frequently Asked Questions

What is the IUPAC name of 2,8-dinaphthalen-2-yldibenzothiophene?
The IUPAC name of 2,8-dinaphthalen-2-yldibenzothiophene (CID 58971417) is 2,8-dinaphthalen-2-yldibenzothiophene.
What is the SMILES notation for 2,8-dinaphthalen-2-yldibenzothiophene?
The canonical SMILES for 2,8-dinaphthalen-2-yldibenzothiophene is c1ccc2cc(-c3ccc4sc5ccc(-c6ccc7ccccc7c6)cc5c4c3)ccc2c1.
What is the InChIKey of 2,8-dinaphthalen-2-yldibenzothiophene?
The InChIKey is UWIWKCTVPSMZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20S/c1-3-7-23-17-25(11-9-21(23)5-1)27-13-15-31-29(19-27)30-20-28(14-16-32(30)33-31)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H.
What are the key properties of 2,8-dinaphthalen-2-yldibenzothiophene?
2,8-dinaphthalen-2-yldibenzothiophene has a molecular weight of 436.58 g/mol, XLogP of 9.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dinaphthalen-2-yldibenzothiophene is sourced from PubChem (CID 58971417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).