4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine

C22H22N2S — CID 59268455

IUPAC4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccc3sc4ccc(C5=CCNCC5)cc4c3c2)CCNC1
InChIInChI=1S/C22H22N2S/c1-3-21-19(13-17(1)15-5-9-23-10-6-15)20-14-18(2-4-22(20)25-21)16-7-11-24-12-8-16/h1-5,7,13-14,23-24H,6,8-12H2
InChIKeyOQJZLLCDXBEBDY-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.81
Rot. Bonds2

About 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine

4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 59268455) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine
PubChem CID59268455
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccc3sc4ccc(C5=CCNCC5)cc4c3c2)CCNC1
InChIInChI=1S/C22H22N2S/c1-3-21-19(13-17(1)15-5-9-23-10-6-15)20-14-18(2-4-22(20)25-21)16-7-11-24-12-8-16/h1-5,7,13-14,23-24H,6,8-12H2
InChIKeyOQJZLLCDXBEBDY-UHFFFAOYSA-N
XLogP4.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine (CID 59268455) is 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine is C1=C(c2ccc3sc4ccc(C5=CCNCC5)cc4c3c2)CCNC1.
What is the InChIKey of 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is OQJZLLCDXBEBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2S/c1-3-21-19(13-17(1)15-5-9-23-10-6-15)20-14-18(2-4-22(20)25-21)16-7-11-24-12-8-16/h1-5,7,13-14,23-24H,6,8-12H2.
What are the key properties of 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine?
4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 346.50 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 59268455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).