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

C60H30F6N6O2 — CID 139573900

IUPAC8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)c(-c2cccc(-c3cccc(-c4ccc5oc6c(-c7ccc(-c8ccnc9c8oc8ccc(-c%10cccc(-c%11cccc(-c%12c(F)cc(F)cc%12F)n%11)n%10)cc89)cc7)ccnc6c5c4)n3)n2)c(F)c1
InChIInChI=1S/C60H30F6N6O2/c61-35-27-41(63)55(42(64)28-35)51-11-3-9-49(71-51)47-7-1-5-45(69-47)33-17-19-53-39(25-33)57-59(73-53)37(21-23-67-57)31-13-15-32(16-14-31)38-22-24-68-58-40-26-34(18-20-54(40)74-60(38)58)46-6-2-8-48(70-46)50-10-4-12-52(72-50)56-43(65)29-36(62)30-44(56)66/h1-30H
InChIKeyXFJLJOCIRZICJX-UHFFFAOYSA-N
MW980.93 g/mol
LogP16.03
Rot. Bonds8

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

8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 139573900) has the molecular formula C60H30F6N6O2 and a molecular weight of 980.93 g/mol. Its IUPAC name is 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID139573900
Molecular FormulaC60H30F6N6O2
Molecular Weight980.93 g/mol
Exact Mass980.23
IUPAC Name8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(F)c(-c2cccc(-c3cccc(-c4ccc5oc6c(-c7ccc(-c8ccnc9c8oc8ccc(-c%10cccc(-c%11cccc(-c%12c(F)cc(F)cc%12F)n%11)n%10)cc89)cc7)ccnc6c5c4)n3)n2)c(F)c1
InChIInChI=1S/C60H30F6N6O2/c61-35-27-41(63)55(42(64)28-35)51-11-3-9-49(71-51)47-7-1-5-45(69-47)33-17-19-53-39(25-33)57-59(73-53)37(21-23-67-57)31-13-15-32(16-14-31)38-22-24-68-58-40-26-34(18-20-54(40)74-60(38)58)46-6-2-8-48(70-46)50-10-4-12-52(72-50)56-43(65)29-36(62)30-44(56)66/h1-30H
InChIKeyXFJLJOCIRZICJX-UHFFFAOYSA-N
XLogP16.03
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.93
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 139573900) is 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(F)c(-c2cccc(-c3cccc(-c4ccc5oc6c(-c7ccc(-c8ccnc9c8oc8ccc(-c%10cccc(-c%11cccc(-c%12c(F)cc(F)cc%12F)n%11)n%10)cc89)cc7)ccnc6c5c4)n3)n2)c(F)c1.
What is the InChIKey of 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is XFJLJOCIRZICJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30F6N6O2/c61-35-27-41(63)55(42(64)28-35)51-11-3-9-49(71-51)47-7-1-5-45(69-47)33-17-19-53-39(25-33)57-59(73-53)37(21-23-67-57)31-13-15-32(16-14-31)38-22-24-68-58-40-26-34(18-20-54(40)74-60(38)58)46-6-2-8-48(70-46)50-10-4-12-52(72-50)56-43(65)29-36(62)30-44(56)66/h1-30H.
What are the key properties of 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 980.93 g/mol, XLogP of 16.03, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 139573900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).