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

C50H24F6N4O2 — CID 153311751

IUPAC8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9cccc(-c%10cc(F)c(F)c(F)c%10)n9)cc78)cc6)ccnc5c4c3)n2)cc(F)c1F
InChIInChI=1S/C50H24F6N4O2/c51-35-21-29(22-36(52)45(35)55)41-5-1-3-39(59-41)27-11-13-43-33(19-27)47-49(61-43)31(15-17-57-47)25-7-9-26(10-8-25)32-16-18-58-48-34-20-28(12-14-44(34)62-50(32)48)40-4-2-6-42(60-40)30-23-37(53)46(56)38(54)24-30/h1-24H
InChIKeyRJKLDGFBHXXVQW-UHFFFAOYSA-N
MW826.76 g/mol
LogP13.90
Rot. Bonds6

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

8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 153311751) has the molecular formula C50H24F6N4O2 and a molecular weight of 826.76 g/mol. Its IUPAC name is 8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID153311751
Molecular FormulaC50H24F6N4O2
Molecular Weight826.76 g/mol
Exact Mass826.18
IUPAC Name8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9cccc(-c%10cc(F)c(F)c(F)c%10)n9)cc78)cc6)ccnc5c4c3)n2)cc(F)c1F
InChIInChI=1S/C50H24F6N4O2/c51-35-21-29(22-36(52)45(35)55)41-5-1-3-39(59-41)27-11-13-43-33(19-27)47-49(61-43)31(15-17-57-47)25-7-9-26(10-8-25)32-16-18-58-48-34-20-28(12-14-44(34)62-50(32)48)40-4-2-6-42(60-40)30-23-37(53)46(56)38(54)24-30/h1-24H
InChIKeyRJKLDGFBHXXVQW-UHFFFAOYSA-N
XLogP13.90
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.76
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-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-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 153311751) is 8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-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-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9cccc(-c%10cc(F)c(F)c(F)c%10)n9)cc78)cc6)ccnc5c4c3)n2)cc(F)c1F.
What is the InChIKey of 8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is RJKLDGFBHXXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H24F6N4O2/c51-35-21-29(22-36(52)45(35)55)41-5-1-3-39(59-41)27-11-13-43-33(19-27)47-49(61-43)31(15-17-57-47)25-7-9-26(10-8-25)32-16-18-58-48-34-20-28(12-14-44(34)62-50(32)48)40-4-2-6-42(60-40)30-23-37(53)46(56)38(54)24-30/h1-24H.
What are the key properties of 8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 826.76 g/mol, XLogP of 13.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 153311751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).