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

C50H24F6N4O2 — CID 142336519

IUPAC8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2ccc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9ccc(-c%10cc(F)c(F)c(F)c%10)nc9)cc78)cc6)ccnc5c4c3)cn2)cc(F)c1F
InChIInChI=1S/C50H24F6N4O2/c51-37-19-31(20-38(52)45(37)55)41-9-5-29(23-59-41)27-7-11-43-35(17-27)47-49(61-43)33(13-15-57-47)25-1-2-26(4-3-25)34-14-16-58-48-36-18-28(8-12-44(36)62-50(34)48)30-6-10-42(60-24-30)32-21-39(53)46(56)40(54)22-32/h1-24H
InChIKeyGSAKOWVTTRMGSQ-UHFFFAOYSA-N
MW826.76 g/mol
LogP13.90
Rot. Bonds6

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

8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336519) has the molecular formula C50H24F6N4O2 and a molecular weight of 826.76 g/mol. Its IUPAC name is 8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-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)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336519
Molecular FormulaC50H24F6N4O2
Molecular Weight826.76 g/mol
Exact Mass826.18
IUPAC Name8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2ccc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9ccc(-c%10cc(F)c(F)c(F)c%10)nc9)cc78)cc6)ccnc5c4c3)cn2)cc(F)c1F
InChIInChI=1S/C50H24F6N4O2/c51-37-19-31(20-38(52)45(37)55)41-9-5-29(23-59-41)27-7-11-43-35(17-27)47-49(61-43)33(13-15-57-47)25-1-2-26(4-3-25)34-14-16-58-48-36-18-28(8-12-44(36)62-50(34)48)30-6-10-42(60-24-30)32-21-39(53)46(56)40(54)22-32/h1-24H
InChIKeyGSAKOWVTTRMGSQ-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)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
4-Phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 118719759
6-[4-(4-Fluorophenyl)benzofuro[3,2-b]pyridin-2-yl]-4-methyl-3-phenyl-chromen-2-one
CID 129903157
2,7-Bis(3,5-difluorophenyl)furo[3,2-b]pyridine
CID 56848816
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958484
2-[4-[4-[2-[4-[4-(4,7-Difluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-difluoro-1,3-benzoxazole
CID 57958500
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrafluoro-1,3-benzoxazole
CID 57958519
4,5,6,7-Tetrafluoro-2-[4-[4-[6-pyridin-2-yl-2-[4-[4-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 57958537
2-[4-[4-[6-Pyridin-2-yl-2-[4-[4-[4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]pyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958541
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrafluoro-1,3-benzoxazole
CID 57958546
2-[4-[4-[2-[4-[4-(5,6-Difluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-difluoro-1,3-benzoxazole
CID 57958574

Frequently Asked Questions

What is the IUPAC name of 8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-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)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336519) is 8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-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)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-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)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(-c2ccc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9ccc(-c%10cc(F)c(F)c(F)c%10)nc9)cc78)cc6)ccnc5c4c3)cn2)cc(F)c1F.
What is the InChIKey of 8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GSAKOWVTTRMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H24F6N4O2/c51-37-19-31(20-38(52)45(37)55)41-9-5-29(23-59-41)27-7-11-43-35(17-27)47-49(61-43)33(13-15-57-47)25-1-2-26(4-3-25)34-14-16-58-48-36-18-28(8-12-44(36)62-50(34)48)30-6-10-42(60-24-30)32-21-39(53)46(56)40(54)22-32/h1-24H.
What are the key properties of 8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-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)-3-pyridinyl]-4-[4-[8-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).