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

C60H18F21N3O3 — CID 139573899

IUPAC4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccc2oc3c(-c4cc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)cc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)c4)ccnc3c2c1
InChIInChI=1S/C60H18F21N3O3/c61-40-34(41(62)47(68)37(46(40)67)58(73,74)75)19-1-4-31-28(16-19)52-55(85-31)25(7-10-82-52)22-13-23(26-8-11-83-53-29-17-20(2-5-32(29)86-56(26)53)35-42(63)48(69)38(59(76,77)78)49(70)43(35)64)15-24(14-22)27-9-12-84-54-30-18-21(3-6-33(30)87-57(27)54)36-44(65)50(71)39(60(79,80)81)51(72)45(36)66/h1-18H
InChIKeySFBFPNQAZMSJIJ-UHFFFAOYSA-N
MW1227.78 g/mol
LogP20.30
Rot. Bonds6

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

4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 139573899) has the molecular formula C60H18F21N3O3 and a molecular weight of 1227.78 g/mol. Its IUPAC name is 4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID139573899
Molecular FormulaC60H18F21N3O3
Molecular Weight1227.78 g/mol
Exact Mass1227.10
IUPAC Name4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccc2oc3c(-c4cc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)cc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)c4)ccnc3c2c1
InChIInChI=1S/C60H18F21N3O3/c61-40-34(41(62)47(68)37(46(40)67)58(73,74)75)19-1-4-31-28(16-19)52-55(85-31)25(7-10-82-52)22-13-23(26-8-11-83-53-29-17-20(2-5-32(29)86-56(26)53)35-42(63)48(69)38(59(76,77)78)49(70)43(35)64)15-24(14-22)27-9-12-84-54-30-18-21(3-6-33(30)87-57(27)54)36-44(65)50(71)39(60(79,80)81)51(72)45(36)66/h1-18H
InChIKeySFBFPNQAZMSJIJ-UHFFFAOYSA-N
XLogP20.30
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.78
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 139573899) is 4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-c1ccc2oc3c(-c4cc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)cc(-c5ccnc6c5oc5ccc(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cc56)c4)ccnc3c2c1.
What is the InChIKey of 4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is SFBFPNQAZMSJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H18F21N3O3/c61-40-34(41(62)47(68)37(46(40)67)58(73,74)75)19-1-4-31-28(16-19)52-55(85-31)25(7-10-82-52)22-13-23(26-8-11-83-53-29-17-20(2-5-32(29)86-56(26)53)35-42(63)48(69)38(59(76,77)78)49(70)43(35)64)15-24(14-22)27-9-12-84-54-30-18-21(3-6-33(30)87-57(27)54)36-44(65)50(71)39(60(79,80)81)51(72)45(36)66/h1-18H.
What are the key properties of 4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
4-[3,5-bis[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1227.78 g/mol, XLogP of 20.30, 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-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 139573899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).