2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine

C33H22N2OS — CID 149247341

IUPAC2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine
SMILESc1ccc(-c2csc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)nc1
InChIInChI=1S/C33H22N2OS/c1-3-14-28-26(12-1)27-13-2-4-15-29(27)33(28,31-17-6-8-19-35-31)24-10-9-11-25(21-24)36-32-20-23(22-37-32)30-16-5-7-18-34-30/h1-22H
InChIKeyXNJDGBGGGQAFON-UHFFFAOYSA-N
MW494.62 g/mol
LogP8.36
Rot. Bonds5

About 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine

2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine (PubChem CID 149247341) has the molecular formula C33H22N2OS and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine
PubChem CID149247341
Molecular FormulaC33H22N2OS
Molecular Weight494.62 g/mol
Exact Mass494.15
IUPAC Name2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine
SMILESc1ccc(-c2csc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)nc1
InChIInChI=1S/C33H22N2OS/c1-3-14-28-26(12-1)27-13-2-4-15-29(27)33(28,31-17-6-8-19-35-31)24-10-9-11-25(21-24)36-32-20-23(22-37-32)30-16-5-7-18-34-30/h1-22H
InChIKeyXNJDGBGGGQAFON-UHFFFAOYSA-N
XLogP8.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
CID 53375781
2-pyridin-2-yl-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377303
4-pyridin-2-yl-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
CID 53375780
2-[2,7-Ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine
CID 132520058
2-[9-[3-(2,4-Difluoro-5-pyridin-2-ylphenoxy)phenyl]thioxanthen-9-yl]pyridine
CID 157811854
2-[2,4-Difluoro-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158995913
4-[(Z)-2-[4-[7-[5-(4-dec-9-enoxyphenyl)thiophen-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1-isocyanoethenyl]-2-(2,3-difluorophenyl)pyridine
CID 153309694
2-(3-Pyridin-2-ylpropoxy)-5-thiophen-2-ylpyridine
CID 126469937
3-(3-pyridin-3-yl-9H-xanthen-9-yl)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 11648368
3-[9-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-9H-xanthen-3-yl]pyridine
CID 11690699
2-Methyl-6-[4-[9-(4-pyridin-2-yloxyphenyl)fluoren-9-yl]phenoxy]pyridine
CID 20753203
4-(4-Methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine
CID 58234812

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine?
The IUPAC name of 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine (CID 149247341) is 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine.
What is the SMILES notation for 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine?
The canonical SMILES for 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine is c1ccc(-c2csc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)nc1.
What is the InChIKey of 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine?
The InChIKey is XNJDGBGGGQAFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2OS/c1-3-14-28-26(12-1)27-13-2-4-15-29(27)33(28,31-17-6-8-19-35-31)24-10-9-11-25(21-24)36-32-20-23(22-37-32)30-16-5-7-18-34-30/h1-22H.
What are the key properties of 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine?
2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine has a molecular weight of 494.62 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine is sourced from PubChem (CID 149247341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).