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

C174H69F36N9O9 — CID 157150281

IUPAC4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESCc1c(F)c(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)c4)ccnc23)c(F)c1F.Fc1cc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8cc(F)c(F)c(F)c8)cc67)cc(-c6ccnc7c6oc6ccc(-c8cc(F)c(F)c(F)c8)cc67)c5)ccnc4c3c2)cc(F)c1F.Fc1cc(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)c5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C60H21F18N3O3.2C57H24F9N3O3/c1-20-38(61)40(63)33(41(64)39(20)62)27-5-2-8-30-50-56(82-53(27)30)24(11-14-79-50)21-17-22(25-12-15-80-51-31-9-3-6-28(54(31)83-57(25)51)34-42(65)46(69)36(59(73,74)75)47(70)43(34)66)19-23(18-21)26-13-16-81-52-32-10-4-7-29(55(32)84-58(26)52)35-44(67)48(71)37(60(76,77)78)49(72)45(35)68;58-40-19-28(20-41(59)49(40)64)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)31-13-32(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)29-21-42(60)50(65)43(61)22-29)15-33(14-31)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)30-23-44(62)51(66)45(63)24-30;58-31-19-40(61)49(41(62)20-31)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)28-13-29(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)50-42(63)21-32(59)22-43(50)64)15-30(14-28)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)51-44(65)23-33(60)24-45(51)66/h2-19H,1H3;2*1-24H
InChIKeyALEFSYKOLHZFCT-UHFFFAOYSA-N
MW3113.45 g/mol
LogP53.23
Rot. Bonds18

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

4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 157150281) has the molecular formula C174H69F36N9O9 and a molecular weight of 3113.45 g/mol. Its IUPAC name is 4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
PubChem CID157150281
Molecular FormulaC174H69F36N9O9
Molecular Weight3113.45 g/mol
Exact Mass3111.46
IUPAC Name4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
SMILESCc1c(F)c(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)c4)ccnc23)c(F)c1F.Fc1cc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8cc(F)c(F)c(F)c8)cc67)cc(-c6ccnc7c6oc6ccc(-c8cc(F)c(F)c(F)c8)cc67)c5)ccnc4c3c2)cc(F)c1F.Fc1cc(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)c5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C60H21F18N3O3.2C57H24F9N3O3/c1-20-38(61)40(63)33(41(64)39(20)62)27-5-2-8-30-50-56(82-53(27)30)24(11-14-79-50)21-17-22(25-12-15-80-51-31-9-3-6-28(54(31)83-57(25)51)34-42(65)46(69)36(59(73,74)75)47(70)43(34)66)19-23(18-21)26-13-16-81-52-32-10-4-7-29(55(32)84-58(26)52)35-44(67)48(71)37(60(76,77)78)49(72)45(35)68;58-40-19-28(20-41(59)49(40)64)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)31-13-32(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)29-21-42(60)50(65)43(61)22-29)15-33(14-31)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)30-23-44(62)51(66)45(63)24-30;58-31-19-40(61)49(41(62)20-31)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)28-13-29(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)50-42(63)21-32(59)22-43(50)64)15-30(14-28)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)51-44(65)23-33(60)24-45(51)66/h2-19H,1H3;2*1-24H
InChIKeyALEFSYKOLHZFCT-UHFFFAOYSA-N
XLogP53.23
TPSA234.27 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003113.45
LogP ≤ 553.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[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[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine (CID 157150281) is 4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine is Cc1c(F)c(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)c4)ccnc23)c(F)c1F.Fc1cc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8cc(F)c(F)c(F)c8)cc67)cc(-c6ccnc7c6oc6ccc(-c8cc(F)c(F)c(F)c8)cc67)c5)ccnc4c3c2)cc(F)c1F.Fc1cc(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)cc(F)cc8F)cc67)c5)ccnc4c3c2)c(F)c1.
What is the InChIKey of 4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ALEFSYKOLHZFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H21F18N3O3.2C57H24F9N3O3/c1-20-38(61)40(63)33(41(64)39(20)62)27-5-2-8-30-50-56(82-53(27)30)24(11-14-79-50)21-17-22(25-12-15-80-51-31-9-3-6-28(54(31)83-57(25)51)34-42(65)46(69)36(59(73,74)75)47(70)43(34)66)19-23(18-21)26-13-16-81-52-32-10-4-7-29(55(32)84-58(26)52)35-44(67)48(71)37(60(76,77)78)49(72)45(35)68;58-40-19-28(20-41(59)49(40)64)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)31-13-32(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)29-21-42(60)50(65)43(61)22-29)15-33(14-31)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)30-23-44(62)51(66)45(63)24-30;58-31-19-40(61)49(41(62)20-31)25-1-4-46-37(16-25)52-55(70-46)34(7-10-67-52)28-13-29(35-8-11-68-53-38-17-26(2-5-47(38)71-56(35)53)50-42(63)21-32(59)22-43(50)64)15-30(14-28)36-9-12-69-54-39-18-27(3-6-48(39)72-57(36)54)51-44(65)23-33(60)24-45(51)66/h2-19H,1H3;2*1-24H.
What are the key properties of 4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine?
4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 3113.45 g/mol, XLogP of 53.23, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 157150281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).