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

C42H14F14N2O2 — CID 142336422

IUPAC8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccc2oc3c(-c4ccc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)cc4)ccnc3c2c1
InChIInChI=1S/C42H14F14N2O2/c43-29-25(30(44)34(48)27(33(29)47)41(51,52)53)17-5-7-23-21(13-17)37-39(59-23)19(9-11-57-37)15-1-2-16(4-3-15)20-10-12-58-38-22-14-18(6-8-24(22)60-40(20)38)26-31(45)35(49)28(42(54,55)56)36(50)32(26)46/h1-14H
InChIKeyIKDIZNNDDGVHSI-UHFFFAOYSA-N
MW844.56 g/mol
LogP14.09
Rot. Bonds4

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

8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336422) has the molecular formula C42H14F14N2O2 and a molecular weight of 844.56 g/mol. Its IUPAC name is 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336422
Molecular FormulaC42H14F14N2O2
Molecular Weight844.56 g/mol
Exact Mass844.08
IUPAC Name8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccc2oc3c(-c4ccc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)cc4)ccnc3c2c1
InChIInChI=1S/C42H14F14N2O2/c43-29-25(30(44)34(48)27(33(29)47)41(51,52)53)17-5-7-23-21(13-17)37-39(59-23)19(9-11-57-37)15-1-2-16(4-3-15)20-10-12-58-38-22-14-18(6-8-24(22)60-40(20)38)26-31(45)35(49)28(42(54,55)56)36(50)32(26)46/h1-14H
InChIKeyIKDIZNNDDGVHSI-UHFFFAOYSA-N
XLogP14.09
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.56
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[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
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
6-(4-Methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine
CID 135009622

Frequently Asked Questions

What is the IUPAC name of 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336422) is 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccc2oc3c(-c4ccc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)cc4)ccnc3c2c1.
What is the InChIKey of 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is IKDIZNNDDGVHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H14F14N2O2/c43-29-25(30(44)34(48)27(33(29)47)41(51,52)53)17-5-7-23-21(13-17)37-39(59-23)19(9-11-57-37)15-1-2-16(4-3-15)20-10-12-58-38-22-14-18(6-8-24(22)60-40(20)38)26-31(45)35(49)28(42(54,55)56)36(50)32(26)46/h1-14H.
What are the key properties of 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 844.56 g/mol, XLogP of 14.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).