1-benzyl-8-naphthalen-1-yldibenzothiophene

C29H20S — CID 142353008

IUPAC1-benzyl-8-naphthalen-1-yldibenzothiophene
SMILESc1ccc(Cc2cccc3sc4ccc(-c5cccc6ccccc56)cc4c23)cc1
InChIInChI=1S/C29H20S/c1-2-8-20(9-3-1)18-23-12-7-15-28-29(23)26-19-22(16-17-27(26)30-28)25-14-6-11-21-10-4-5-13-24(21)25/h1-17,19H,18H2
InChIKeySERRYGVQUVTQJN-UHFFFAOYSA-N
MW400.55 g/mol
LogP8.47
Rot. Bonds3

About 1-benzyl-8-naphthalen-1-yldibenzothiophene

1-benzyl-8-naphthalen-1-yldibenzothiophene (PubChem CID 142353008) has the molecular formula C29H20S and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-benzyl-8-naphthalen-1-yldibenzothiophene.

Molecular Properties

Compound Name1-benzyl-8-naphthalen-1-yldibenzothiophene
PubChem CID142353008
Molecular FormulaC29H20S
Molecular Weight400.55 g/mol
Exact Mass400.13
IUPAC Name1-benzyl-8-naphthalen-1-yldibenzothiophene
SMILESc1ccc(Cc2cccc3sc4ccc(-c5cccc6ccccc56)cc4c23)cc1
InChIInChI=1S/C29H20S/c1-2-8-20(9-3-1)18-23-12-7-15-28-29(23)26-19-22(16-17-27(26)30-28)25-14-6-11-21-10-4-5-13-24(21)25/h1-17,19H,18H2
InChIKeySERRYGVQUVTQJN-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 166055432
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083
3-benzyl-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-yldibenzothiophene
CID 167606627
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-2-yl-N-phenylaniline
CID 170036987
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130359574

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-naphthalen-1-yldibenzothiophene?
The IUPAC name of 1-benzyl-8-naphthalen-1-yldibenzothiophene (CID 142353008) is 1-benzyl-8-naphthalen-1-yldibenzothiophene.
What is the SMILES notation for 1-benzyl-8-naphthalen-1-yldibenzothiophene?
The canonical SMILES for 1-benzyl-8-naphthalen-1-yldibenzothiophene is c1ccc(Cc2cccc3sc4ccc(-c5cccc6ccccc56)cc4c23)cc1.
What is the InChIKey of 1-benzyl-8-naphthalen-1-yldibenzothiophene?
The InChIKey is SERRYGVQUVTQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20S/c1-2-8-20(9-3-1)18-23-12-7-15-28-29(23)26-19-22(16-17-27(26)30-28)25-14-6-11-21-10-4-5-13-24(21)25/h1-17,19H,18H2.
What are the key properties of 1-benzyl-8-naphthalen-1-yldibenzothiophene?
1-benzyl-8-naphthalen-1-yldibenzothiophene has a molecular weight of 400.55 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-naphthalen-1-yldibenzothiophene is sourced from PubChem (CID 142353008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).