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

C46H22F6N2O2 — CID 142336367

IUPAC8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9cc(F)c(F)c(F)c9)cc78)cc6)cc5)ccnc4c3c2)cc(F)c1F
InChIInChI=1S/C46H22F6N2O2/c47-35-19-29(20-36(48)41(35)51)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)30-21-37(49)42(52)38(50)22-30/h1-22H
InChIKeyGZLJQUDIJVBGRK-UHFFFAOYSA-N
MW748.68 g/mol
LogP13.44
Rot. Bonds5

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

8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336367) has the molecular formula C46H22F6N2O2 and a molecular weight of 748.68 g/mol. Its IUPAC name is 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336367
Molecular FormulaC46H22F6N2O2
Molecular Weight748.68 g/mol
Exact Mass748.16
IUPAC Name8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9cc(F)c(F)c(F)c9)cc78)cc6)cc5)ccnc4c3c2)cc(F)c1F
InChIInChI=1S/C46H22F6N2O2/c47-35-19-29(20-36(48)41(35)51)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)30-21-37(49)42(52)38(50)22-30/h1-22H
InChIKeyGZLJQUDIJVBGRK-UHFFFAOYSA-N
XLogP13.44
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.68
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]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-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336367) is 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9cc(F)c(F)c(F)c9)cc78)cc6)cc5)ccnc4c3c2)cc(F)c1F.
What is the InChIKey of 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GZLJQUDIJVBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H22F6N2O2/c47-35-19-29(20-36(48)41(35)51)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)30-21-37(49)42(52)38(50)22-30/h1-22H.
What are the key properties of 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 748.68 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4,5-trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).