3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine

C26H19NO2S — CID 152537650

IUPAC3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine
SMILESc1ccc(-c2ccc(COc3sc4ccccc4c3Oc3cccnc3)cc2)cc1
InChIInChI=1S/C26H19NO2S/c1-2-7-20(8-3-1)21-14-12-19(13-15-21)18-28-26-25(29-22-9-6-16-27-17-22)23-10-4-5-11-24(23)30-26/h1-17H,18H2
InChIKeyYKWIXBALDFBHHE-UHFFFAOYSA-N
MW409.51 g/mol
LogP7.33
Rot. Bonds6

About 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine

3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine (PubChem CID 152537650) has the molecular formula C26H19NO2S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine.

Molecular Properties

Compound Name3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine
PubChem CID152537650
Molecular FormulaC26H19NO2S
Molecular Weight409.51 g/mol
Exact Mass409.11
IUPAC Name3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine
SMILESc1ccc(-c2ccc(COc3sc4ccccc4c3Oc3cccnc3)cc2)cc1
InChIInChI=1S/C26H19NO2S/c1-2-7-20(8-3-1)21-14-12-19(13-15-21)18-28-26-25(29-22-9-6-16-27-17-22)23-10-4-5-11-24(23)30-26/h1-17H,18H2
InChIKeyYKWIXBALDFBHHE-UHFFFAOYSA-N
XLogP7.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
6-{5-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646998
7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 30897313
7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 30956824
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
(+)-(R)-2-(3-(1-(3-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884120
7-(1-benzothiophen-3-yl)-9-methoxy-4-[(2-methoxy-3-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 122180250
7-(1-benzothiophen-3-yl)-9-methoxy-4-[(6-methoxy-3-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 122180251
7-(1-benzothiophen-3-yl)-9-methyl-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 122180288
N-(3-methyl-1-benzothiophen-2-yl)-4-pyridin-3-yloxy-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 66906902
5-[(S)-4-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)-benzyl]-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylamine
CID 89798347
2-Methoxy-5-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44142401

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine?
The IUPAC name of 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine (CID 152537650) is 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine.
What is the SMILES notation for 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine?
The canonical SMILES for 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine is c1ccc(-c2ccc(COc3sc4ccccc4c3Oc3cccnc3)cc2)cc1.
What is the InChIKey of 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine?
The InChIKey is YKWIXBALDFBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO2S/c1-2-7-20(8-3-1)21-14-12-19(13-15-21)18-28-26-25(29-22-9-6-16-27-17-22)23-10-4-5-11-24(23)30-26/h1-17H,18H2.
What are the key properties of 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine?
3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine has a molecular weight of 409.51 g/mol, XLogP of 7.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-phenylphenyl)methoxy]-1-benzothiophen-3-yl]oxy]pyridine is sourced from PubChem (CID 152537650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).