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

C224H105F39N10O10 — CID 160629539

IUPAC6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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
SMILESCc1c(F)c(F)c(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)cc4)ccnc23)c(F)c1F.Cc1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)cc4)ccnc23)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)c(F)c(F)c(F)c9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1F.Fc1cc(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9cc(F)c(F)c(F)c9)cc78)cc6)cc5)ccnc4c3c2)cc(F)c1F.Fc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)cc(F)cc9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C46H18F10N2O2.2C46H22F6N2O2.C44H26F6N2O2.C42H17F11N2O2/c47-33-31(34(48)38(52)41(55)37(33)51)23-9-11-29-27(17-23)43-45(59-29)25(13-15-57-43)21-5-1-19(2-6-21)20-3-7-22(8-4-20)26-14-16-58-44-28-18-24(10-12-30(28)60-46(26)44)32-35(49)39(53)42(56)40(54)36(32)50;47-29-19-35(49)41(36(50)20-29)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)42-37(51)21-30(48)22-38(42)52;47-35-19-29(20-36(48)41(35)51)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)30-21-37(49)42(52)38(50)22-30;1-23-17-27(21-29(19-23)43(45,46)47)31-5-3-7-35-37-41(53-39(31)35)33(13-15-51-37)25-9-11-26(12-10-25)34-14-16-52-38-36-8-4-6-32(40(36)54-42(34)38)28-18-24(2)20-30(22-28)44(48,49)50;1-16-28(43)30(45)25(31(46)29(16)44)21-4-2-6-23-36-40(56-38(21)23)19(12-14-54-36)17-8-10-18(11-9-17)20-13-15-55-37-24-7-3-5-22(39(24)57-41(20)37)26-32(47)34(49)27(42(51,52)53)35(50)33(26)48/h1-18H;2*1-22H;3-22H,1-2H3;2-15H,1H3
InChIKeyRHSZMKWEDIDPNR-UHFFFAOYSA-N
MW3837.29 g/mol
LogP67.87
Rot. Bonds23

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

6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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 (PubChem CID 160629539) has the molecular formula C224H105F39N10O10 and a molecular weight of 3837.29 g/mol. Its IUPAC name is 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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.

Molecular Properties

Compound Name6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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
PubChem CID160629539
Molecular FormulaC224H105F39N10O10
Molecular Weight3837.29 g/mol
Exact Mass3834.74
IUPAC Name6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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
SMILESCc1c(F)c(F)c(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)cc4)ccnc23)c(F)c1F.Cc1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)cc4)ccnc23)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)c(F)c(F)c(F)c9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1F.Fc1cc(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9cc(F)c(F)c(F)c9)cc78)cc6)cc5)ccnc4c3c2)cc(F)c1F.Fc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)cc(F)cc9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1
InChIInChI=1S/C46H18F10N2O2.2C46H22F6N2O2.C44H26F6N2O2.C42H17F11N2O2/c47-33-31(34(48)38(52)41(55)37(33)51)23-9-11-29-27(17-23)43-45(59-29)25(13-15-57-43)21-5-1-19(2-6-21)20-3-7-22(8-4-20)26-14-16-58-44-28-18-24(10-12-30(28)60-46(26)44)32-35(49)39(53)42(56)40(54)36(32)50;47-29-19-35(49)41(36(50)20-29)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)42-37(51)21-30(48)22-38(42)52;47-35-19-29(20-36(48)41(35)51)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)30-21-37(49)42(52)38(50)22-30;1-23-17-27(21-29(19-23)43(45,46)47)31-5-3-7-35-37-41(53-39(31)35)33(13-15-51-37)25-9-11-26(12-10-25)34-14-16-52-38-36-8-4-6-32(40(36)54-42(34)38)28-18-24(2)20-30(22-28)44(48,49)50;1-16-28(43)30(45)25(31(46)29(16)44)21-4-2-6-23-36-40(56-38(21)23)19(12-14-54-36)17-8-10-18(11-9-17)20-13-15-55-37-24-7-3-5-22(39(24)57-41(20)37)26-32(47)34(49)27(42(51,52)53)35(50)33(26)48/h1-18H;2*1-22H;3-22H,1-2H3;2-15H,1H3
InChIKeyRHSZMKWEDIDPNR-UHFFFAOYSA-N
XLogP67.87
TPSA260.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003837.29
LogP ≤ 567.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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 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
8-[4-(9-Phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 134411551
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
4-[3,5-Bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336440
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 142336482

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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?
The IUPAC name of 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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 160629539) is 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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.
What is the SMILES notation for 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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?
The canonical SMILES for 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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 is Cc1c(F)c(F)c(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7c(F)c(F)c(C(F)(F)F)c(F)c7F)cccc56)cc4)ccnc23)c(F)c1F.Cc1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccnc6c5oc5c(-c7cc(C)cc(C(F)(F)F)c7)cccc56)cc4)ccnc23)cc(C(F)(F)F)c1.Fc1c(F)c(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)c(F)c(F)c(F)c9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1F.Fc1cc(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9cc(F)c(F)c(F)c9)cc78)cc6)cc5)ccnc4c3c2)cc(F)c1F.Fc1cc(F)c(-c2ccc3oc4c(-c5ccc(-c6ccc(-c7ccnc8c7oc7ccc(-c9c(F)cc(F)cc9F)cc78)cc6)cc5)ccnc4c3c2)c(F)c1.
What is the InChIKey of 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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?
The InChIKey is RHSZMKWEDIDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H18F10N2O2.2C46H22F6N2O2.C44H26F6N2O2.C42H17F11N2O2/c47-33-31(34(48)38(52)41(55)37(33)51)23-9-11-29-27(17-23)43-45(59-29)25(13-15-57-43)21-5-1-19(2-6-21)20-3-7-22(8-4-20)26-14-16-58-44-28-18-24(10-12-30(28)60-46(26)44)32-35(49)39(53)42(56)40(54)36(32)50;47-29-19-35(49)41(36(50)20-29)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)42-37(51)21-30(48)22-38(42)52;47-35-19-29(20-36(48)41(35)51)27-9-11-39-33(17-27)43-45(55-39)31(13-15-53-43)25-5-1-23(2-6-25)24-3-7-26(8-4-24)32-14-16-54-44-34-18-28(10-12-40(34)56-46(32)44)30-21-37(49)42(52)38(50)22-30;1-23-17-27(21-29(19-23)43(45,46)47)31-5-3-7-35-37-41(53-39(31)35)33(13-15-51-37)25-9-11-26(12-10-25)34-14-16-52-38-36-8-4-6-32(40(36)54-42(34)38)28-18-24(2)20-30(22-28)44(48,49)50;1-16-28(43)30(45)25(31(46)29(16)44)21-4-2-6-23-36-40(56-38(21)23)19(12-14-54-36)17-8-10-18(11-9-17)20-13-15-55-37-24-7-3-5-22(39(24)57-41(20)37)26-32(47)34(49)27(42(51,52)53)35(50)33(26)48/h1-18H;2*1-22H;3-22H,1-2H3;2-15H,1H3.
What are the key properties of 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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?
6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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 has a molecular weight of 3837.29 g/mol, XLogP of 67.87, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-5-(trifluoromethyl)phenyl]-4-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,3,4,5,6-pentafluorophenyl)-4-[4-[4-[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[4-[6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-(2,4,6-trifluorophenyl)-4-[4-[4-[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine;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 is sourced from PubChem (CID 160629539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).