4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine

C32H17FN2O2 — CID 142336489

IUPAC4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
SMILESFc1ccc2oc3c(-c4ccc(-c5ccnc6c5oc5ccccc56)c5ccccc45)ccnc3c2c1
InChIInChI=1S/C32H17FN2O2/c33-18-9-12-28-26(17-18)30-32(37-28)24(14-16-35-30)22-11-10-21(19-5-1-2-6-20(19)22)23-13-15-34-29-25-7-3-4-8-27(25)36-31(23)29/h1-17H
InChIKeyMVMKCCUDBDZPCH-UHFFFAOYSA-N
MW480.50 g/mol
LogP8.90
Rot. Bonds2

About 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine

4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336489) has the molecular formula C32H17FN2O2 and a molecular weight of 480.50 g/mol. Its IUPAC name is 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
PubChem CID142336489
Molecular FormulaC32H17FN2O2
Molecular Weight480.50 g/mol
Exact Mass480.13
IUPAC Name4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
SMILESFc1ccc2oc3c(-c4ccc(-c5ccnc6c5oc5ccccc56)c5ccccc45)ccnc3c2c1
InChIInChI=1S/C32H17FN2O2/c33-18-9-12-28-26(17-18)30-32(37-28)24(14-16-35-30)22-11-10-21(19-5-1-2-6-20(19)22)23-13-15-34-29-25-7-3-4-8-27(25)36-31(23)29/h1-17H
InChIKeyMVMKCCUDBDZPCH-UHFFFAOYSA-N
XLogP8.90
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.50
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 153311745
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine
CID 142336447
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
4-[8-([1]benzofuro[3,2-b]pyridin-4-yl)-9-phenylcarbazol-1-yl]-[1]benzofuro[3,2-b]pyridine
CID 142336434
4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine
CID 22586504
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371
8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336319
4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
CID 142336373

Frequently Asked Questions

What is the IUPAC name of 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine (CID 142336489) is 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine is Fc1ccc2oc3c(-c4ccc(-c5ccnc6c5oc5ccccc56)c5ccccc45)ccnc3c2c1.
What is the InChIKey of 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine?
The InChIKey is MVMKCCUDBDZPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17FN2O2/c33-18-9-12-28-26(17-18)30-32(37-28)24(14-16-35-30)22-11-10-21(19-5-1-2-6-20(19)22)23-13-15-34-29-25-7-3-4-8-27(25)36-31(23)29/h1-17H.
What are the key properties of 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine?
4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine has a molecular weight of 480.50 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).