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

C88H34F20N4O4 — CID 149471670

IUPAC6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cc(-c7cc(-c8c(F)c(F)c(C(F)(F)F)c(F)c8F)c8oc9c(-c%10ccc(-c%11ccc(-c%12ccnc%13c%12oc%12c(-c%14c(F)c(F)c(C(F)(F)F)c(F)c%14F)cccc%12%13)cc%11)cc%10)ccnc9c8c7)cc56)cc4)ccnc23)cc(F)c1F
InChIInChI=1S/C88H34F20N4O4/c89-57-31-43(32-58(90)65(57)93)45-3-1-5-51-75-83(113-79(45)51)47(20-23-109-75)39-15-17-40(18-16-39)49-22-25-111-77-55-29-41(27-53(81(55)115-85(49)77)44-33-59(91)66(94)60(92)34-44)42-28-54(62-69(97)73(101)64(88(106,107)108)74(102)70(62)98)82-56(30-42)78-86(116-82)48(21-26-112-78)38-13-9-36(10-14-38)35-7-11-37(12-8-35)46-19-24-110-76-52-6-2-4-50(80(52)114-84(46)76)61-67(95)71(99)63(87(103,104)105)72(100)68(61)96/h1-34H
InChIKeyZBMBUGPCQCGMGW-UHFFFAOYSA-N
MW1591.22 g/mol
LogP27.52
Rot. Bonds10

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

6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 149471670) has the molecular formula C88H34F20N4O4 and a molecular weight of 1591.22 g/mol. Its IUPAC name is 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID149471670
Molecular FormulaC88H34F20N4O4
Molecular Weight1591.22 g/mol
Exact Mass1590.23
IUPAC Name6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cc(-c7cc(-c8c(F)c(F)c(C(F)(F)F)c(F)c8F)c8oc9c(-c%10ccc(-c%11ccc(-c%12ccnc%13c%12oc%12c(-c%14c(F)c(F)c(C(F)(F)F)c(F)c%14F)cccc%12%13)cc%11)cc%10)ccnc9c8c7)cc56)cc4)ccnc23)cc(F)c1F
InChIInChI=1S/C88H34F20N4O4/c89-57-31-43(32-58(90)65(57)93)45-3-1-5-51-75-83(113-79(45)51)47(20-23-109-75)39-15-17-40(18-16-39)49-22-25-111-77-55-29-41(27-53(81(55)115-85(49)77)44-33-59(91)66(94)60(92)34-44)42-28-54(62-69(97)73(101)64(88(106,107)108)74(102)70(62)98)82-56(30-42)78-86(116-82)48(21-26-112-78)38-13-9-36(10-14-38)35-7-11-37(12-8-35)46-19-24-110-76-52-6-2-4-50(80(52)114-84(46)76)61-67(95)71(99)63(87(103,104)105)72(100)68(61)96/h1-34H
InChIKeyZBMBUGPCQCGMGW-UHFFFAOYSA-N
XLogP27.52
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001591.22
LogP ≤ 527.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine (CID 149471670) is 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cc(-c7cc(-c8c(F)c(F)c(C(F)(F)F)c(F)c8F)c8oc9c(-c%10ccc(-c%11ccc(-c%12ccnc%13c%12oc%12c(-c%14c(F)c(F)c(C(F)(F)F)c(F)c%14F)cccc%12%13)cc%11)cc%10)ccnc9c8c7)cc56)cc4)ccnc23)cc(F)c1F.
What is the InChIKey of 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ZBMBUGPCQCGMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H34F20N4O4/c89-57-31-43(32-58(90)65(57)93)45-3-1-5-51-75-83(113-79(45)51)47(20-23-109-75)39-15-17-40(18-16-39)49-22-25-111-77-55-29-41(27-53(81(55)115-85(49)77)44-33-59(91)66(94)60(92)34-44)42-28-54(62-69(97)73(101)64(88(106,107)108)74(102)70(62)98)82-56(30-42)78-86(116-82)48(21-26-112-78)38-13-9-36(10-14-38)35-7-11-37(12-8-35)46-19-24-110-76-52-6-2-4-50(80(52)114-84(46)76)61-67(95)71(99)63(87(103,104)105)72(100)68(61)96/h1-34H.
What are the key properties of 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine?
6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1591.22 g/mol, XLogP of 27.52, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[4-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-8-[6-(3,4,5-trifluorophenyl)-4-[4-[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 149471670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).