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

C37H30N2OS — CID 157130499

IUPAC4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine
SMILESCC(C)(C)c1ccnc(-c2csc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)c1
InChIInChI=1S/C37H30N2OS/c1-36(2,3)26-18-20-38-33(23-26)25-21-35(41-24-25)40-28-12-10-11-27(22-28)37(34-17-8-9-19-39-34)31-15-6-4-13-29(31)30-14-5-7-16-32(30)37/h4-24H,1-3H3
InChIKeyVOTQSQGIMAZZMO-UHFFFAOYSA-N
MW550.73 g/mol
LogP9.66
Rot. Bonds5

About 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine

4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine (PubChem CID 157130499) has the molecular formula C37H30N2OS and a molecular weight of 550.73 g/mol. Its IUPAC name is 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine
PubChem CID157130499
Molecular FormulaC37H30N2OS
Molecular Weight550.73 g/mol
Exact Mass550.21
IUPAC Name4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine
SMILESCC(C)(C)c1ccnc(-c2csc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)c1
InChIInChI=1S/C37H30N2OS/c1-36(2,3)26-18-20-38-33(23-26)25-21-35(41-24-25)40-28-12-10-11-27(22-28)37(34-17-8-9-19-39-34)31-15-6-4-13-29(31)30-14-5-7-16-32(30)37/h4-24H,1-3H3
InChIKeyVOTQSQGIMAZZMO-UHFFFAOYSA-N
XLogP9.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.73
LogP ≤ 59.66
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
2-(2-p-Hexoxyphenyl-5-pyridyl)-thiophene
CID 54312464
3-[3-(2-Methoxyphenyl)-5-(3-methylphenyl)thiophen-2-yl]isoquinoline
CID 166448440
(Z)-3-[4-[7-[5-(4-dec-9-enoxyphenyl)thiophen-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2-[2-(2,3-difluorophenyl)-4-pyridinyl]prop-2-enenitrile
CID 153309693
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-(2-Ethoxyphenyl)thiophen-2-yl]pyridine
CID 101456124
3-[9-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-9H-xanthen-3-yl]pyridine
CID 11690699

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine?
The IUPAC name of 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine (CID 157130499) is 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine is CC(C)(C)c1ccnc(-c2csc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)c1.
What is the InChIKey of 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine?
The InChIKey is VOTQSQGIMAZZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2OS/c1-36(2,3)26-18-20-38-33(23-26)25-21-35(41-24-25)40-28-12-10-11-27(22-28)37(34-17-8-9-19-39-34)31-15-6-4-13-29(31)30-14-5-7-16-32(30)37/h4-24H,1-3H3.
What are the key properties of 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine?
4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine has a molecular weight of 550.73 g/mol, XLogP of 9.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]pyridine is sourced from PubChem (CID 157130499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).