4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C294H135F45N18O14 — CID 158818009

IUPAC4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESCc1cc(C)cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)c4)ccnc23)c1.Fc1c(F)c(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(F)c(F)c7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(F)c(F)c7F)cccc56)c4)ccnc23)c(F)c1F.Fc1cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)c4)ccnc23)cc(F)c1F.Fc1cc(F)c(-c2ccc(-c3cccc(-c4ccc5oc6c(-c7ccc(-c8ccnc9c8oc8ccc(-c%10cccc(-c%11ccc(-c%12c(F)cc(F)cc%12F)cn%11)n%10)cc89)cc7)ccnc6c5c4)n3)nc2)c(F)c1.Fc1cc(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)cc(F)cc7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)cc(F)cc7F)cccc56)c4)ccnc23)c(F)c1
InChIInChI=1S/C63H39F6N3O3.C60H30F6N6O2.C57H18F15N3O3.2C57H24F9N3O3/c1-32-20-33(2)22-36(21-32)44-8-5-11-50-53-59(73-56(44)50)47(14-17-70-53)39-27-40(48-15-18-71-54-51-12-6-9-45(57(51)74-60(48)54)37-23-34(3)25-42(30-37)62(64,65)66)29-41(28-39)49-16-19-72-55-52-13-7-10-46(58(52)75-61(49)55)38-24-35(4)26-43(31-38)63(67,68)69;61-37-25-43(63)55(44(64)26-37)35-11-15-49(69-29-35)51-5-1-3-47(71-51)33-13-17-53-41(23-33)57-59(73-53)39(19-21-67-57)31-7-9-32(10-8-31)40-20-22-68-58-42-24-34(14-18-54(42)74-60(40)58)48-4-2-6-52(72-48)50-16-12-36(30-70-50)56-45(65)27-38(62)28-46(56)66;58-34-31(35(59)41(65)46(70)40(34)64)25-4-1-7-28-49-55(76-52(25)28)22(10-13-73-49)19-16-20(23-11-14-74-50-29-8-2-5-26(53(29)77-56(23)50)32-36(60)42(66)47(71)43(67)37(32)61)18-21(17-19)24-12-15-75-51-30-9-3-6-27(54(30)78-57(24)51)33-38(62)44(68)48(72)45(69)39(33)63;58-28-19-40(61)46(41(62)20-28)34-4-1-7-37-49-55(70-52(34)37)31(10-13-67-49)25-16-26(32-11-14-68-50-38-8-2-5-35(53(38)71-56(32)50)47-42(63)21-29(59)22-43(47)64)18-27(17-25)33-12-15-69-51-39-9-3-6-36(54(39)72-57(33)51)48-44(65)23-30(60)24-45(48)66;58-40-19-28(20-41(59)46(40)64)31-4-1-7-37-49-55(70-52(31)37)34(10-13-67-49)25-16-26(35-11-14-68-50-38-8-2-5-32(53(38)71-56(35)50)29-21-42(60)47(65)43(61)22-29)18-27(17-25)36-12-15-69-51-39-9-3-6-33(54(39)72-57(36)51)30-23-44(62)48(66)45(63)24-30/h5-31H,1-4H3;1-30H;1-18H;2*1-24H
InChIKeyIVMYLHZZWKEJBI-UHFFFAOYSA-N
MW4998.34 g/mol
LogP86.17
Rot. Bonds32

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

4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 158818009) has the molecular formula C294H135F45N18O14 and a molecular weight of 4998.34 g/mol. Its IUPAC name is 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID158818009
Molecular FormulaC294H135F45N18O14
Molecular Weight4998.34 g/mol
Exact Mass4994.97
IUPAC Name4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESCc1cc(C)cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)c4)ccnc23)c1.Fc1c(F)c(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(F)c(F)c7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(F)c(F)c7F)cccc56)c4)ccnc23)c(F)c1F.Fc1cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)c4)ccnc23)cc(F)c1F.Fc1cc(F)c(-c2ccc(-c3cccc(-c4ccc5oc6c(-c7ccc(-c8ccnc9c8oc8ccc(-c%10cccc(-c%11ccc(-c%12c(F)cc(F)cc%12F)cn%11)n%10)cc89)cc7)ccnc6c5c4)n3)nc2)c(F)c1.Fc1cc(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)cc(F)cc7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)cc(F)cc7F)cccc56)c4)ccnc23)c(F)c1
InChIInChI=1S/C63H39F6N3O3.C60H30F6N6O2.C57H18F15N3O3.2C57H24F9N3O3/c1-32-20-33(2)22-36(21-32)44-8-5-11-50-53-59(73-56(44)50)47(14-17-70-53)39-27-40(48-15-18-71-54-51-12-6-9-45(57(51)74-60(48)54)37-23-34(3)25-42(30-37)62(64,65)66)29-41(28-39)49-16-19-72-55-52-13-7-10-46(58(52)75-61(49)55)38-24-35(4)26-43(31-38)63(67,68)69;61-37-25-43(63)55(44(64)26-37)35-11-15-49(69-29-35)51-5-1-3-47(71-51)33-13-17-53-41(23-33)57-59(73-53)39(19-21-67-57)31-7-9-32(10-8-31)40-20-22-68-58-42-24-34(14-18-54(42)74-60(40)58)48-4-2-6-52(72-48)50-16-12-36(30-70-50)56-45(65)27-38(62)28-46(56)66;58-34-31(35(59)41(65)46(70)40(34)64)25-4-1-7-28-49-55(76-52(25)28)22(10-13-73-49)19-16-20(23-11-14-74-50-29-8-2-5-26(53(29)77-56(23)50)32-36(60)42(66)47(71)43(67)37(32)61)18-21(17-19)24-12-15-75-51-30-9-3-6-27(54(30)78-57(24)51)33-38(62)44(68)48(72)45(69)39(33)63;58-28-19-40(61)46(41(62)20-28)34-4-1-7-37-49-55(70-52(34)37)31(10-13-67-49)25-16-26(32-11-14-68-50-38-8-2-5-35(53(38)71-56(32)50)47-42(63)21-29(59)22-43(47)64)18-27(17-25)33-12-15-69-51-39-9-3-6-36(54(39)72-57(33)51)48-44(65)23-30(60)24-45(48)66;58-40-19-28(20-41(59)46(40)64)31-4-1-7-37-49-55(70-52(31)37)34(10-13-67-49)25-16-26(35-11-14-68-50-38-8-2-5-32(53(38)71-56(35)50)29-21-42(60)47(65)43(61)22-29)18-27(17-25)36-12-15-69-51-39-9-3-6-33(54(39)72-57(36)51)30-23-44(62)48(66)45(63)24-30/h5-31H,1-4H3;1-30H;1-18H;2*1-24H
InChIKeyIVMYLHZZWKEJBI-UHFFFAOYSA-N
XLogP86.17
TPSA415.98 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms371
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004998.34
LogP ≤ 586.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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

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Related Compounds

8-[4-(2,6-Diphenylpyridin-4-yl)phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 89994807
4-Carbazol-9-yl-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine
CID 135131324
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)phenyl]-2,4-dimethylpyridin-3-amine
CID 137538079
N,N-bis[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)phenyl]-2,4-dimethylpyridin-3-amine
CID 137538140
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
8-[6-[6-(2,4,6-Trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 139573900
8-(2,3,4,5,6-Pentafluorophenyl)-4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336321
8-(3,4,5-Trifluorophenyl)-4-[4-[4-[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336367
8-(2,4,6-Trifluorophenyl)-4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336387
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
8-[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]-4-[4-[8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336422
8-[5-(3,4,5-Trifluorophenyl)-2-pyridinyl]-4-[4-[8-[5-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336427

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 158818009) is 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is Cc1cc(C)cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)c4)ccnc23)c1.Fc1c(F)c(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(F)c(F)c7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(F)c(F)c7F)cccc56)c4)ccnc23)c(F)c1F.Fc1cc(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)cc(-c5ccnc6c5oc5c(-c7cc(F)c(F)c(F)c7)cccc56)c4)ccnc23)cc(F)c1F.Fc1cc(F)c(-c2ccc(-c3cccc(-c4ccc5oc6c(-c7ccc(-c8ccnc9c8oc8ccc(-c%10cccc(-c%11ccc(-c%12c(F)cc(F)cc%12F)cn%11)n%10)cc89)cc7)ccnc6c5c4)n3)nc2)c(F)c1.Fc1cc(F)c(-c2cccc3c2oc2c(-c4cc(-c5ccnc6c5oc5c(-c7c(F)cc(F)cc7F)cccc56)cc(-c5ccnc6c5oc5c(-c7c(F)cc(F)cc7F)cccc56)c4)ccnc23)c(F)c1.
What is the InChIKey of 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is IVMYLHZZWKEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39F6N3O3.C60H30F6N6O2.C57H18F15N3O3.2C57H24F9N3O3/c1-32-20-33(2)22-36(21-32)44-8-5-11-50-53-59(73-56(44)50)47(14-17-70-53)39-27-40(48-15-18-71-54-51-12-6-9-45(57(51)74-60(48)54)37-23-34(3)25-42(30-37)62(64,65)66)29-41(28-39)49-16-19-72-55-52-13-7-10-46(58(52)75-61(49)55)38-24-35(4)26-43(31-38)63(67,68)69;61-37-25-43(63)55(44(64)26-37)35-11-15-49(69-29-35)51-5-1-3-47(71-51)33-13-17-53-41(23-33)57-59(73-53)39(19-21-67-57)31-7-9-32(10-8-31)40-20-22-68-58-42-24-34(14-18-54(42)74-60(40)58)48-4-2-6-52(72-48)50-16-12-36(30-70-50)56-45(65)27-38(62)28-46(56)66;58-34-31(35(59)41(65)46(70)40(34)64)25-4-1-7-28-49-55(76-52(25)28)22(10-13-73-49)19-16-20(23-11-14-74-50-29-8-2-5-26(53(29)77-56(23)50)32-36(60)42(66)47(71)43(67)37(32)61)18-21(17-19)24-12-15-75-51-30-9-3-6-27(54(30)78-57(24)51)33-38(62)44(68)48(72)45(69)39(33)63;58-28-19-40(61)46(41(62)20-28)34-4-1-7-37-49-55(70-52(34)37)31(10-13-67-49)25-16-26(32-11-14-68-50-38-8-2-5-35(53(38)71-56(32)50)47-42(63)21-29(59)22-43(47)64)18-27(17-25)33-12-15-69-51-39-9-3-6-36(54(39)72-57(33)51)48-44(65)23-30(60)24-45(48)66;58-40-19-28(20-41(59)46(40)64)31-4-1-7-37-49-55(70-52(31)37)34(10-13-67-49)25-16-26(35-11-14-68-50-38-8-2-5-32(53(38)71-56(35)50)29-21-42(60)47(65)43(61)22-29)18-27(17-25)36-12-15-69-51-39-9-3-6-33(54(39)72-57(36)51)30-23-44(62)48(66)45(63)24-30/h5-31H,1-4H3;1-30H;1-18H;2*1-24H.
What are the key properties of 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 4998.34 g/mol, XLogP of 86.17, 32 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 158818009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).