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

C50H24F6N4O2 — CID 142336584

IUPAC8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2cc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9ccnc(-c%10cc(F)c(F)c(F)c%10)c9)cc78)cc6)ccnc5c4c3)ccn2)cc(F)c1F
InChIInChI=1S/C50H24F6N4O2/c51-37-19-31(20-38(52)45(37)55)41-23-29(9-13-57-41)27-5-7-43-35(17-27)47-49(61-43)33(11-15-59-47)25-1-2-26(4-3-25)34-12-16-60-48-36-18-28(6-8-44(36)62-50(34)48)30-10-14-58-42(24-30)32-21-39(53)46(56)40(54)22-32/h1-24H
InChIKeyUSDLABOYZSVZTQ-UHFFFAOYSA-N
MW826.76 g/mol
LogP13.90
Rot. Bonds6

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

8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336584) has the molecular formula C50H24F6N4O2 and a molecular weight of 826.76 g/mol. Its IUPAC name is 8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336584
Molecular FormulaC50H24F6N4O2
Molecular Weight826.76 g/mol
Exact Mass826.18
IUPAC Name8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2cc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9ccnc(-c%10cc(F)c(F)c(F)c%10)c9)cc78)cc6)ccnc5c4c3)ccn2)cc(F)c1F
InChIInChI=1S/C50H24F6N4O2/c51-37-19-31(20-38(52)45(37)55)41-23-29(9-13-57-41)27-5-7-43-35(17-27)47-49(61-43)33(11-15-59-47)25-1-2-26(4-3-25)34-12-16-60-48-36-18-28(6-8-44(36)62-50(34)48)30-10-14-58-42(24-30)32-21-39(53)46(56)40(54)22-32/h1-24H
InChIKeyUSDLABOYZSVZTQ-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-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-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-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336584) is 8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(-c2cc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9ccnc(-c%10cc(F)c(F)c(F)c%10)c9)cc78)cc6)ccnc5c4c3)ccn2)cc(F)c1F.
What is the InChIKey of 8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is USDLABOYZSVZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H24F6N4O2/c51-37-19-31(20-38(52)45(37)55)41-23-29(9-13-57-41)27-5-7-43-35(17-27)47-49(61-43)33(11-15-59-47)25-1-2-26(4-3-25)34-12-16-60-48-36-18-28(6-8-44(36)62-50(34)48)30-10-14-58-42(24-30)32-21-39(53)46(56)40(54)22-32/h1-24H.
What are the key properties of 8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-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-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).