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

C57H18F15N3O3 — CID 142336399

IUPAC4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)c5)ccnc4c3c2)c(F)c1F
InChIInChI=1S/C57H18F15N3O3/c58-37-34(38(59)44(65)49(70)43(37)64)19-1-4-31-28(16-19)52-55(76-31)25(7-10-73-52)22-13-23(26-8-11-74-53-29-17-20(2-5-32(29)77-56(26)53)35-39(60)45(66)50(71)46(67)40(35)61)15-24(14-22)27-9-12-75-54-30-18-21(3-6-33(30)78-57(27)54)36-41(62)47(68)51(72)48(69)42(36)63/h1-18H
InChIKeyGHUPWTSDVARBGP-UHFFFAOYSA-N
MW1077.76 g/mol
LogP17.66
Rot. Bonds6

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

4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336399) has the molecular formula C57H18F15N3O3 and a molecular weight of 1077.76 g/mol. Its IUPAC name is 4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine
PubChem CID142336399
Molecular FormulaC57H18F15N3O3
Molecular Weight1077.76 g/mol
Exact Mass1077.11
IUPAC Name4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)c5)ccnc4c3c2)c(F)c1F
InChIInChI=1S/C57H18F15N3O3/c58-37-34(38(59)44(65)49(70)43(37)64)19-1-4-31-28(16-19)52-55(76-31)25(7-10-73-52)22-13-23(26-8-11-74-53-29-17-20(2-5-32(29)77-56(26)53)35-39(60)45(66)50(71)46(67)40(35)61)15-24(14-22)27-9-12-75-54-30-18-21(3-6-33(30)78-57(27)54)36-41(62)47(68)51(72)48(69)42(36)63/h1-18H
InChIKeyGHUPWTSDVARBGP-UHFFFAOYSA-N
XLogP17.66
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.76
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
5-((3-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2-ylmethoxy)phenoxy)methyl)furo[3,2-b]pyridine
CID 44447717
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
2-Phenyl-7-(trifluoromethyl)furo[3,2-b]pyridine
CID 138983641
Benzofuro[3,2-b]pyridine
CID 11355707
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
3-(Trifluoromethyl)-[1]benzofuro[3,2-b]pyridine-8-carbonitrile
CID 57621329
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

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine (CID 142336399) is 4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine is Fc1c(F)c(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)c5)ccnc4c3c2)c(F)c1F.
What is the InChIKey of 4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GHUPWTSDVARBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H18F15N3O3/c58-37-34(38(59)44(65)49(70)43(37)64)19-1-4-31-28(16-19)52-55(76-31)25(7-10-73-52)22-13-23(26-8-11-74-53-29-17-20(2-5-32(29)77-56(26)53)35-39(60)45(66)50(71)46(67)40(35)61)15-24(14-22)27-9-12-75-54-30-18-21(3-6-33(30)78-57(27)54)36-41(62)47(68)51(72)48(69)42(36)63/h1-18H.
What are the key properties of 4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine?
4-[3,5-bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1077.76 g/mol, XLogP of 17.66, 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-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).