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

C180H75F42N9O9 — CID 159381347

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

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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 159381347) has the molecular formula C180H75F42N9O9 and a molecular weight of 3305.55 g/mol. Its IUPAC name is 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 159381347
• Molecular Formula: C180H75F42N9O9
• Molecular Weight: 3305.55 g/mol
• Exact Mass: 3303.50
• IUPAC Name: 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
• SMILES: Cc1c(F)c(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(C(F)(F)F)c(F)c8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(C(F)(F)F)c(F)c8F)cc67)c5)ccnc4c3c2)c(F)c1F.Cc1cc(C)cc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8cc(C)cc(C(F)(F)F)c8)cc67)cc(-c6ccnc7c6oc6ccc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cc67)c5)ccnc4c3c2)c1.Fc1c(F)c(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)c5)ccnc4c3c2)c(F)c1F
• InChI: InChI=1S/C63H36F9N3O3.C60H21F18N3O3.C57H18F15N3O3/c1-31-16-32(2)18-37(17-31)34-4-7-52-49(27-34)55-58(76-52)46(10-13-73-55)40-21-41(47-11-14-74-56-50-28-35(5-8-53(50)77-59(47)56)38-19-33(3)20-43(24-38)61(64,65)66)23-42(22-40)48-12-15-75-57-51-29-36(6-9-54(51)78-60(48)57)39-25-44(62(67,68)69)30-45(26-39)63(70,71)72;1-20-41(61)43(63)36(44(64)42(20)62)21-2-5-33-30(17-21)53-56(82-33)27(8-11-79-53)24-14-25(28-9-12-80-54-31-18-22(3-6-34(31)83-57(28)54)37-45(65)49(69)39(59(73,74)75)50(70)46(37)66)16-26(15-24)29-10-13-81-55-32-19-23(4-7-35(32)84-58(29)55)38-47(67)51(71)40(60(76,77)78)52(72)48(38)68;58-37-34(38(59)44(65)49(70)43(37)64)19-1-4-31-28(16-19)52-55(76-31)25(7-10-73-52)22-13-23(26-8-11-74-53-29-17-20(2-5-32(29)77-56(26)53)35-39(60)45(66)50(71)46(67)40(35)61)15-24(14-22)27-9-12-75-54-30-18-21(3-6-33(30)78-57(27)54)36-41(62)47(68)51(72)48(69)42(36)63/h4-30H,1-3H3;2-19H,1H3;1-18H
• InChIKey: LKYHPVGIANJLPX-UHFFFAOYSA-N
• XLogP: 56.80
• TPSA: 234.27 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3305.55
LogP ≤ 5	56.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 159381347) is 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine is Cc1c(F)c(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(C(F)(F)F)c(F)c8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(C(F)(F)F)c(F)c8F)cc67)c5)ccnc4c3c2)c(F)c1F.Cc1cc(C)cc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8cc(C)cc(C(F)(F)F)c8)cc67)cc(-c6ccnc7c6oc6ccc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cc67)c5)ccnc4c3c2)c1.Fc1c(F)c(F)c(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)cc(-c6ccnc7c6oc6ccc(-c8c(F)c(F)c(F)c(F)c8F)cc67)c5)ccnc4c3c2)c(F)c1F.

What is the InChIKey of 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is LKYHPVGIANJLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H36F9N3O3.C60H21F18N3O3.C57H18F15N3O3/c1-31-16-32(2)18-37(17-31)34-4-7-52-49(27-34)55-58(76-52)46(10-13-73-55)40-21-41(47-11-14-74-56-50-28-35(5-8-53(50)77-59(47)56)38-19-33(3)20-43(24-38)61(64,65)66)23-42(22-40)48-12-15-75-57-51-29-36(6-9-54(51)78-60(48)57)39-25-44(62(67,68)69)30-45(26-39)63(70,71)72;1-20-41(61)43(63)36(44(64)42(20)62)21-2-5-33-30(17-21)53-56(82-33)27(8-11-79-53)24-14-25(28-9-12-80-54-31-18-22(3-6-34(31)83-57(28)54)37-45(65)49(69)39(59(73,74)75)50(70)46(37)66)16-26(15-24)29-10-13-81-55-32-19-23(4-7-35(32)84-58(29)55)38-47(67)51(71)40(60(76,77)78)52(72)48(38)68;58-37-34(38(59)44(65)49(70)43(37)64)19-1-4-31-28(16-19)52-55(76-31)25(7-10-73-52)22-13-23(26-8-11-74-53-29-17-20(2-5-32(29)77-56(26)53)35-39(60)45(66)50(71)46(67)40(35)61)15-24(14-22)27-9-12-75-54-30-18-21(3-6-33(30)78-57(27)54)36-41(62)47(68)51(72)48(69)42(36)63/h4-30H,1-3H3;2-19H,1H3;1-18H.

What are the key properties of 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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?

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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 3305.55 g/mol, XLogP of 56.80, 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[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;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-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3-[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]-5-[8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 159381347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).