8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C40H18F6N2O2 — CID 142336387

IUPAC8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C40H18F6N2O2/c41-23-15-29(43)35(30(44)16-23)21-5-7-33-27(13-21)37-39(49-33)25(9-11-47-37)19-1-2-20(4-3-19)26-10-12-48-38-28-14-22(6-8-34(28)50-40(26)38)36-31(45)17-24(42)18-32(36)46/h1-18H
InChIKeyBQZBCGLGOBMKGT-UHFFFAOYSA-N
MW672.58 g/mol
LogP11.78
Rot. Bonds4

About 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336387) has the molecular formula C40H18F6N2O2 and a molecular weight of 672.58 g/mol. Its IUPAC name is 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336387
Molecular FormulaC40H18F6N2O2
Molecular Weight672.58 g/mol
Exact Mass672.13
IUPAC Name8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C40H18F6N2O2/c41-23-15-29(43)35(30(44)16-23)21-5-7-33-27(13-21)37-39(49-33)25(9-11-47-37)19-1-2-20(4-3-19)26-10-12-48-38-28-14-22(6-8-34(28)50-40(26)38)36-31(45)17-24(42)18-32(36)46/h1-18H
InChIKeyBQZBCGLGOBMKGT-UHFFFAOYSA-N
XLogP11.78
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.58
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
5-((3-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2-ylmethoxy)phenoxy)methyl)furo[3,2-b]pyridine
CID 44447717
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
2-Phenylfuro[3,2-b]pyridine
CID 10987164
N-[4-[8-(6-fluoro-3-pyridinyl)-2-oxo-[1]benzofuro[3,2-b]pyridin-1-yl]phenyl]prop-2-enamide
CID 155547557
2,4-Diphenyl-[1]benzofuro[3,2-b]pyridine
CID 137633581
6-Phenyl-3-pyridin-4-ylfuro[3,2-b]pyridine
CID 171471476
4-Phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 118719759
2-Phenyl-7-(trifluoromethyl)furo[3,2-b]pyridine
CID 138983641
5-(2-Phenylfuro[3,2-b]pyridin-3-yl)-1-propylpyridin-2-one
CID 11255980

Frequently Asked Questions

What is the IUPAC name of 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336387) is 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc5)ccnc4c3c2)c(F)c1.
What is the InChIKey of 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is BQZBCGLGOBMKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H18F6N2O2/c41-23-15-29(43)35(30(44)16-23)21-5-7-33-27(13-21)37-39(49-33)25(9-11-47-37)19-1-2-20(4-3-19)26-10-12-48-38-28-14-22(6-8-34(28)50-40(26)38)36-31(45)17-24(42)18-32(36)46/h1-18H.
What are the key properties of 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 672.58 g/mol, XLogP of 11.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4,6-trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).