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

C57H24F9N3O3 — CID 142336552

IUPAC4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)c5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C57H24F9N3O3/c58-31-19-40(61)49(41(62)20-31)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)28-13-29(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)50-42(63)21-32(59)22-43(50)64)15-30(14-28)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)51-44(65)23-33(60)24-45(51)66/h1-24H
InChIKeyGUDGCHPFYLYTQF-UHFFFAOYSA-N
MW969.82 g/mol
LogP16.82
Rot. Bonds6

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

4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336552) has the molecular formula C57H24F9N3O3 and a molecular weight of 969.82 g/mol. Its IUPAC name is 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
PubChem CID142336552
Molecular FormulaC57H24F9N3O3
Molecular Weight969.82 g/mol
Exact Mass969.17
IUPAC Name4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)c5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C57H24F9N3O3/c58-31-19-40(61)49(41(62)20-31)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)28-13-29(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)50-42(63)21-32(59)22-43(50)64)15-30(14-28)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)51-44(65)23-33(60)24-45(51)66/h1-24H
InChIKeyGUDGCHPFYLYTQF-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

Analyze 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine (CID 142336552) is 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine is Fc1cc(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)c5)ccnc4c3c2)c(F)c1.
What is the InChIKey of 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GUDGCHPFYLYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H24F9N3O3/c58-31-19-40(61)49(41(62)20-31)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)28-13-29(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)50-42(63)21-32(59)22-43(50)64)15-30(14-28)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)51-44(65)23-33(60)24-45(51)66/h1-24H.
What are the key properties of 4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-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[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).