8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C40H14F10N2O2 — CID 142336321

IUPAC8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(F)c(-c2ccc3oc4c(-c5ccc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)cc5)ccnc4c3c2)c(F)c1F
InChIInChI=1S/C40H14F10N2O2/c41-27-25(28(42)32(46)35(49)31(27)45)17-5-7-23-21(13-17)37-39(53-23)19(9-11-51-37)15-1-2-16(4-3-15)20-10-12-52-38-22-14-18(6-8-24(22)54-40(20)38)26-29(43)33(47)36(50)34(48)30(26)44/h1-14H
InChIKeySKBCYIFLUCGLKN-UHFFFAOYSA-N
MW744.54 g/mol
LogP12.33
Rot. Bonds4

About 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336321) has the molecular formula C40H14F10N2O2 and a molecular weight of 744.54 g/mol. Its IUPAC name is 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336321
Molecular FormulaC40H14F10N2O2
Molecular Weight744.54 g/mol
Exact Mass744.09
IUPAC Name8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(F)c(-c2ccc3oc4c(-c5ccc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)cc5)ccnc4c3c2)c(F)c1F
InChIInChI=1S/C40H14F10N2O2/c41-27-25(28(42)32(46)35(49)31(27)45)17-5-7-23-21(13-17)37-39(53-23)19(9-11-51-37)15-1-2-16(4-3-15)20-10-12-52-38-22-14-18(6-8-24(22)54-40(20)38)26-29(43)33(47)36(50)34(48)30(26)44/h1-14H
InChIKeySKBCYIFLUCGLKN-UHFFFAOYSA-N
XLogP12.33
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.54
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[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-(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
Difluoro((2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy)(trifluoromethyl)borate
CID 72771040
3-[4-(Trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 122382965

Frequently Asked Questions

What is the IUPAC name of 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336321) is 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1c(F)c(F)c(-c2ccc3oc4c(-c5ccc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)cc5)ccnc4c3c2)c(F)c1F.
What is the InChIKey of 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is SKBCYIFLUCGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H14F10N2O2/c41-27-25(28(42)32(46)35(49)31(27)45)17-5-7-23-21(13-17)37-39(53-23)19(9-11-51-37)15-1-2-16(4-3-15)20-10-12-52-38-22-14-18(6-8-24(22)54-40(20)38)26-29(43)33(47)36(50)34(48)30(26)44/h1-14H.
What are the key properties of 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 744.54 g/mol, XLogP of 12.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).