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

C57H24F9N3O3 — CID 153311755

IUPAC4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)c4)ccnc23)cc(F)c1F
InChIInChI=1S/C57H24F9N3O3/c58-40-19-28(20-41(59)46(40)64)31-4-1-7-37-49-55(70-52(31)37)34(10-13-67-49)25-16-26(35-11-14-68-50-38-8-2-5-32(53(38)71-56(35)50)29-21-42(60)47(65)43(61)22-29)18-27(17-25)36-12-15-69-51-39-9-3-6-33(54(39)72-57(36)51)30-23-44(62)48(66)45(63)24-30/h1-24H
InChIKeyQIJAJQHEKVISDB-UHFFFAOYSA-N
MW969.82 g/mol
LogP16.82
Rot. Bonds6

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

4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 153311755) has the molecular formula C57H24F9N3O3 and a molecular weight of 969.82 g/mol. Its IUPAC name is 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
PubChem CID153311755
Molecular FormulaC57H24F9N3O3
Molecular Weight969.82 g/mol
Exact Mass969.17
IUPAC Name4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)c4)ccnc23)cc(F)c1F
InChIInChI=1S/C57H24F9N3O3/c58-40-19-28(20-41(59)46(40)64)31-4-1-7-37-49-55(70-52(31)37)34(10-13-67-49)25-16-26(35-11-14-68-50-38-8-2-5-32(53(38)71-56(35)50)29-21-42(60)47(65)43(61)22-29)18-27(17-25)36-12-15-69-51-39-9-3-6-33(54(39)72-57(36)51)30-23-44(62)48(66)45(63)24-30/h1-24H
InChIKeyQIJAJQHEKVISDB-UHFFFAOYSA-N
XLogP16.82
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.82
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[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
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
2,4-Diphenyl-[1]benzofuro[3,2-b]pyridine
CID 137633581
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
Benzofuro[3,2-b]pyridine
CID 11355707
6-[4-(4-Fluorophenyl)benzofuro[3,2-b]pyridin-2-yl]-4-methyl-3-phenyl-chromen-2-one
CID 129903157
7-(4-Fluorophenyl)furo[3,2-b]pyridine
CID 53798523
2,7-Bis(3,5-difluorophenyl)furo[3,2-b]pyridine
CID 56848816
2-[4-[4-[2-[4-[4-(4,7-Difluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-difluoro-1,3-benzoxazole
CID 57958500

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine (CID 153311755) is 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine is Fc1cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)c4)ccnc23)cc(F)c1F.
What is the InChIKey of 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is QIJAJQHEKVISDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H24F9N3O3/c58-40-19-28(20-41(59)46(40)64)31-4-1-7-37-49-55(70-52(31)37)34(10-13-67-49)25-16-26(35-11-14-68-50-38-8-2-5-32(53(38)71-56(35)50)29-21-42(60)47(65)43(61)22-29)18-27(17-25)36-12-15-69-51-39-9-3-6-33(54(39)72-57(36)51)30-23-44(62)48(66)45(63)24-30/h1-24H.
What are the key properties of 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 969.82 g/mol, XLogP of 16.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 153311755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).