1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline

C37H24N2OS — CID 139363747

IUPAC1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline
SMILESc1ccc(C2(c3cccc(Oc4cc(-c5nccc6ccccc56)cs4)c3)c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C37H24N2OS/c1-2-13-29-25(10-1)19-21-39-36(29)26-22-35(41-24-26)40-28-12-9-11-27(23-28)37(34-18-7-8-20-38-34)32-16-5-3-14-30(32)31-15-4-6-17-33(31)37/h1-24H
InChIKeyKEZONWLGLVSFEA-UHFFFAOYSA-N
MW544.68 g/mol
LogP9.51
Rot. Bonds5

About 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline

1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline (PubChem CID 139363747) has the molecular formula C37H24N2OS and a molecular weight of 544.68 g/mol. Its IUPAC name is 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline.

Molecular Properties

Compound Name1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline
PubChem CID139363747
Molecular FormulaC37H24N2OS
Molecular Weight544.68 g/mol
Exact Mass544.16
IUPAC Name1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline
SMILESc1ccc(C2(c3cccc(Oc4cc(-c5nccc6ccccc56)cs4)c3)c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C37H24N2OS/c1-2-13-29-25(10-1)19-21-39-36(29)26-22-35(41-24-26)40-28-12-9-11-27(23-28)37(34-18-7-8-20-38-34)32-16-5-3-14-30(32)31-15-4-6-17-33(31)37/h1-24H
InChIKeyKEZONWLGLVSFEA-UHFFFAOYSA-N
XLogP9.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.68
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline with MolForge

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Related Compounds

7-Methoxy-3-thiophen-3-ylisoquinoline
CID 44142278
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
6-[3-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]propoxy]isoquinoline
CID 155803097
4-pyridin-2-yl-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
CID 53375780
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
6-Fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline
CID 158995914
6-Fluoro-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]quinoline
CID 160095793
6-fluoro-2-[3-[3-[(S)-(2-phenylsulfanylphenyl)-pyridin-2-ylmethyl]phenoxy]phenyl]quinoline
CID 173816558
8-Methoxy-3-(thiophen-2-yl)-isoquinoline
CID 163359838
3-[3-(2-Methoxyphenyl)-5-(3-methylphenyl)thiophen-2-yl]isoquinoline
CID 166448440

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline?
The IUPAC name of 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline (CID 139363747) is 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline.
What is the SMILES notation for 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline?
The canonical SMILES for 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline is c1ccc(C2(c3cccc(Oc4cc(-c5nccc6ccccc56)cs4)c3)c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline?
The InChIKey is KEZONWLGLVSFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2OS/c1-2-13-29-25(10-1)19-21-39-36(29)26-22-35(41-24-26)40-28-12-9-11-27(23-28)37(34-18-7-8-20-38-34)32-16-5-3-14-30(32)31-15-4-6-17-33(31)37/h1-24H.
What are the key properties of 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline?
1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline has a molecular weight of 544.68 g/mol, XLogP of 9.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]thiophen-3-yl]isoquinoline is sourced from PubChem (CID 139363747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).