2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine

C136H77F24N26+ — CID 159501331

About 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine

2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine (PubChem CID 159501331) has the molecular formula C136H77F24N26+ and a molecular weight of 2531.25 g/mol. Its IUPAC name is 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
• PubChem CID: 159501331
• Molecular Formula: C136H77F24N26+
• Molecular Weight: 2531.25 g/mol
• Exact Mass: 2529.64
• IUPAC Name: 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
• SMILES: Cc1cccc(C)c1-n1c(-c2cc(-c3nc4cccnc4n3-c3c(C)cccc3C)cc(-c3[nH]c4cccnc4[n+]3-c3c(C)cccc3C)c2)nc2cccnc21.FC(F)(F)c1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)c2)nc2cccnc21.Fc1c(F)c(F)c(-c2c(-c3cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)c3)[nH]c3cccnc23)c(F)c1F
• InChI: InChI=1S/C48H39N9.C45H24F9N9.C43H13F15N8/c1-28-13-7-14-29(2)40(28)55-43(52-37-19-10-22-49-46(37)55)34-25-35(44-53-38-20-11-23-50-47(38)56(44)41-30(3)15-8-16-31(41)4)27-36(26-34)45-54-39-21-12-24-51-48(39)57(45)42-32(5)17-9-18-33(42)6;46-43(47,48)28-10-1-4-16-34(28)61-37(58-31-13-7-19-55-40(31)61)25-22-26(38-59-32-14-8-20-56-41(32)62(38)35-17-5-2-11-29(35)44(49,50)51)24-27(23-25)39-60-33-15-9-21-57-42(33)63(39)36-18-6-3-12-30(36)45(52,53)54;44-21-19(22(45)24(47)25(48)23(21)46)20-36(62-16-4-1-7-59-37(16)20)13-10-14(40-63-17-5-2-8-60-42(17)65(40)38-32(55)28(51)26(49)29(52)33(38)56)12-15(11-13)41-64-18-6-3-9-61-43(18)66(41)39-34(57)30(53)27(50)31(54)35(39)58/h7-27H,1-6H3;1-24H;1-12,62H/p+1
• InChIKey: DCDZCZUPDRWZJP-UHFFFAOYSA-O
• XLogP: 33.89
• TPSA: 276.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.25
LogP ≤ 5	33.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine?

The IUPAC name of 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine (CID 159501331) is 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine is Cc1cccc(C)c1-n1c(-c2cc(-c3nc4cccnc4n3-c3c(C)cccc3C)cc(-c3[nH]c4cccnc4[n+]3-c3c(C)cccc3C)c2)nc2cccnc21.FC(F)(F)c1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)cc(-c3nc4cccnc4n3-c3ccccc3C(F)(F)F)c2)nc2cccnc21.Fc1c(F)c(F)c(-c2c(-c3cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)cc(-c4nc5cccnc5n4-c4c(F)c(F)c(F)c(F)c4F)c3)[nH]c3cccnc23)c(F)c1F.

What is the InChIKey of 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine?

The InChIKey is DCDZCZUPDRWZJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C48H39N9.C45H24F9N9.C43H13F15N8/c1-28-13-7-14-29(2)40(28)55-43(52-37-19-10-22-49-46(37)55)34-25-35(44-53-38-20-11-23-50-47(38)56(44)41-30(3)15-8-16-31(41)4)27-36(26-34)45-54-39-21-12-24-51-48(39)57(45)42-32(5)17-9-18-33(42)6;46-43(47,48)28-10-1-4-16-34(28)61-37(58-31-13-7-19-55-40(31)61)25-22-26(38-59-32-14-8-20-56-41(32)62(38)35-17-5-2-11-29(35)44(49,50)51)24-27(23-25)39-60-33-15-9-21-57-42(33)63(39)36-18-6-3-12-30(36)45(52,53)54;44-21-19(22(45)24(47)25(48)23(21)46)20-36(62-16-4-1-7-59-37(16)20)13-10-14(40-63-17-5-2-8-60-42(17)65(40)38-32(55)28(51)26(49)29(52)33(38)56)12-15(11-13)41-64-18-6-3-9-61-43(18)66(41)39-34(57)30(53)27(50)31(54)35(39)58/h7-27H,1-6H3;1-24H;1-12,62H/p+1.

What are the key properties of 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine?

2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 2531.25 g/mol, XLogP of 33.89, 18 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[3-[3-(2,6-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine;3-(2,3,4,5,6-pentafluorophenyl)-2-[3-[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]-5-[3-(2,3,4,5,6-pentafluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 159501331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).