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

C46H22F6N2O2 — CID 142336507

IUPAC8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)cc(F)cc9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C46H22F6N2O2/c47-29-19-35(49)41(36(50)20-29)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)42-37(51)21-30(48)22-38(42)52/h1-22H
InChIKeyMSRWUHMTNVBYEC-UHFFFAOYSA-N
MW748.68 g/mol
LogP13.44
Rot. Bonds5

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

8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336507) has the molecular formula C46H22F6N2O2 and a molecular weight of 748.68 g/mol. Its IUPAC name is 8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336507
Molecular FormulaC46H22F6N2O2
Molecular Weight748.68 g/mol
Exact Mass748.16
IUPAC Name8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)cc(F)cc9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C46H22F6N2O2/c47-29-19-35(49)41(36(50)20-29)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)42-37(51)21-30(48)22-38(42)52/h1-22H
InChIKeyMSRWUHMTNVBYEC-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

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336507) is 8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)cc(F)cc9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1.
What is the InChIKey of 8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is MSRWUHMTNVBYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H22F6N2O2/c47-29-19-35(49)41(36(50)20-29)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)42-37(51)21-30(48)22-38(42)52/h1-22H.
What are the key properties of 8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-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-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).