3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine

C34H20N2S2 — CID 138726343

IUPAC3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine
SMILESc1cncc(-c2cccc3c2sc2ccc(-c4ccc5sc6c(-c7cccnc7)cccc6c5c4)cc23)c1
InChIInChI=1S/C34H20N2S2/c1-7-25(23-5-3-15-35-19-23)33-27(9-1)29-17-21(11-13-31(29)37-33)22-12-14-32-30(18-22)28-10-2-8-26(34(28)38-32)24-6-4-16-36-20-24/h1-20H
InChIKeyGSIQYZXIVSQWAA-UHFFFAOYSA-N
MW520.68 g/mol
LogP10.21
Rot. Bonds3

About 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine

3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine (PubChem CID 138726343) has the molecular formula C34H20N2S2 and a molecular weight of 520.68 g/mol. Its IUPAC name is 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine.

Molecular Properties

Compound Name3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine
PubChem CID138726343
Molecular FormulaC34H20N2S2
Molecular Weight520.68 g/mol
Exact Mass520.11
IUPAC Name3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine
SMILESc1cncc(-c2cccc3c2sc2ccc(-c4ccc5sc6c(-c7cccnc7)cccc6c5c4)cc23)c1
InChIInChI=1S/C34H20N2S2/c1-7-25(23-5-3-15-35-19-23)33-27(9-1)29-17-21(11-13-31(29)37-33)22-12-14-32-30(18-22)28-10-2-8-26(34(28)38-32)24-6-4-16-36-20-24/h1-20H
InChIKeyGSIQYZXIVSQWAA-UHFFFAOYSA-N
XLogP10.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
CID 171760978
7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115829
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261995
8-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 177115919
4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263534
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465763
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
4-[3-dibenzothiophen-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583509
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130262835
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120

Frequently Asked Questions

What is the IUPAC name of 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine?
The IUPAC name of 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine (CID 138726343) is 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine.
What is the SMILES notation for 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine?
The canonical SMILES for 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine is c1cncc(-c2cccc3c2sc2ccc(-c4ccc5sc6c(-c7cccnc7)cccc6c5c4)cc23)c1.
What is the InChIKey of 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine?
The InChIKey is GSIQYZXIVSQWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2S2/c1-7-25(23-5-3-15-35-19-23)33-27(9-1)29-17-21(11-13-31(29)37-33)22-12-14-32-30(18-22)28-10-2-8-26(34(28)38-32)24-6-4-16-36-20-24/h1-20H.
What are the key properties of 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine?
3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine has a molecular weight of 520.68 g/mol, XLogP of 10.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine is sourced from PubChem (CID 138726343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).