1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole

C241H169Cl3F9N67 — CID 157458102

About 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole

1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole (PubChem CID 157458102) has the molecular formula C241H169Cl3F9N67 and a molecular weight of 4280.81 g/mol. Its IUPAC name is 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
• PubChem CID: 157458102
• Molecular Formula: C241H169Cl3F9N67
• Molecular Weight: 4280.81 g/mol
• Exact Mass: 4276.42
• IUPAC Name: 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
• SMILES: Cc1ccc2c(c1)nc(C)n2-c1nc(-n2c(C)nc3cc(C)ccc32)nc(-n2c(C)nc3cc(C)ccc32)n1.Cc1cccc2c3ccccc3n(-c3nc(-n4c5ccccc5c5cccc(C)c54)nc(-n4c5ccccc5c5cccc(C)c54)n3)c12.Cc1nc2cc(Cl)ccc2n1-c1nc(-n2c(C)nc3cc(Cl)ccc32)nc(-n2c(C)nc3cc(Cl)ccc32)n1.Cc1nc2ccccc2n1-c1ccccc1-c1ccccc1-n1c(C)nc2ccccc21.Cc1nc2cccnc2n1-c1nc(-n2c(C)nc3cccnc32)nc(-n2c(C)nc3cccnc32)n1.Cc1nc2cccnc2n1-c1nc(-n2c(C)nc3cccnc32)nc(-n2c(C)nc3cccnc32)n1.FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c(C(F)(F)F)nc3ccccc32)nc(-n2c(C(F)(F)F)nc3ccccc32)n1.c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C42H30N6.C39H24N6.C30H27N9.C28H22N4.C27H18Cl3N9.C27H12F9N9.2C24H18N12/c1-25-13-10-19-31-28-16-4-7-22-34(28)46(37(25)31)40-43-41(47-35-23-8-5-17-29(35)32-20-11-14-26(2)38(32)47)45-42(44-40)48-36-24-9-6-18-30(36)33-21-12-15-27(3)39(33)48;1-7-19-31-25(13-1)26-14-2-8-20-32(26)43(31)37-40-38(44-33-21-9-3-15-27(33)28-16-4-10-22-34(28)44)42-39(41-37)45-35-23-11-5-17-29(35)30-18-6-12-24-36(30)45;1-16-7-10-25-22(13-16)31-19(4)37(25)28-34-29(38-20(5)32-23-14-17(2)8-11-26(23)38)36-30(35-28)39-21(6)33-24-15-18(3)9-12-27(24)39;1-19-29-23-13-5-9-17-27(23)31(19)25-15-7-3-11-21(25)22-12-4-8-16-26(22)32-20(2)30-24-14-6-10-18-28(24)32;1-13-31-19-10-16(28)4-7-22(19)37(13)25-34-26(38-14(2)32-20-11-17(29)5-8-23(20)38)36-27(35-25)39-15(3)33-21-12-18(30)6-9-24(21)39;28-25(29,30)19-37-13-7-1-4-10-16(13)43(19)22-40-23(44-17-11-5-2-8-14(17)38-20(44)26(31,32)33)42-24(41-22)45-18-12-6-3-9-15(18)39-21(45)27(34,35)36;2*1-13-28-16-7-4-10-25-19(16)34(13)22-31-23(35-14(2)29-17-8-5-11-26-20(17)35)33-24(32-22)36-15(3)30-18-9-6-12-27-21(18)36/h4-24H,1-3H3;1-24H;7-15H,1-6H3;3-18H,1-2H3;4-12H,1-3H3;1-12H;2*4-12H,1-3H3
• InChIKey: BTPGJLZWVGHEAI-UHFFFAOYSA-N
• XLogP: 51.35
• TPSA: 680.55 Ų
• H-Bond Acceptors: 67
• Rotatable Bonds: 24
• Heavy Atoms: 320
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4280.81
LogP ≤ 5	51.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	67

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole?

The IUPAC name of 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole (CID 157458102) is 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole.

What is the SMILES notation for 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole?

The canonical SMILES for 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole is Cc1ccc2c(c1)nc(C)n2-c1nc(-n2c(C)nc3cc(C)ccc32)nc(-n2c(C)nc3cc(C)ccc32)n1.Cc1cccc2c3ccccc3n(-c3nc(-n4c5ccccc5c5cccc(C)c54)nc(-n4c5ccccc5c5cccc(C)c54)n3)c12.Cc1nc2cc(Cl)ccc2n1-c1nc(-n2c(C)nc3cc(Cl)ccc32)nc(-n2c(C)nc3cc(Cl)ccc32)n1.Cc1nc2ccccc2n1-c1ccccc1-c1ccccc1-n1c(C)nc2ccccc21.Cc1nc2cccnc2n1-c1nc(-n2c(C)nc3cccnc32)nc(-n2c(C)nc3cccnc32)n1.Cc1nc2cccnc2n1-c1nc(-n2c(C)nc3cccnc32)nc(-n2c(C)nc3cccnc32)n1.FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c(C(F)(F)F)nc3ccccc32)nc(-n2c(C(F)(F)F)nc3ccccc32)n1.c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.

What is the InChIKey of 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole?

The InChIKey is BTPGJLZWVGHEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N6.C39H24N6.C30H27N9.C28H22N4.C27H18Cl3N9.C27H12F9N9.2C24H18N12/c1-25-13-10-19-31-28-16-4-7-22-34(28)46(37(25)31)40-43-41(47-35-23-8-5-17-29(35)32-20-11-14-26(2)38(32)47)45-42(44-40)48-36-24-9-6-18-30(36)33-21-12-15-27(3)39(33)48;1-7-19-31-25(13-1)26-14-2-8-20-32(26)43(31)37-40-38(44-33-21-9-3-15-27(33)28-16-4-10-22-34(28)44)42-39(41-37)45-35-23-11-5-17-29(35)30-18-6-12-24-36(30)45;1-16-7-10-25-22(13-16)31-19(4)37(25)28-34-29(38-20(5)32-23-14-17(2)8-11-26(23)38)36-30(35-28)39-21(6)33-24-15-18(3)9-12-27(24)39;1-19-29-23-13-5-9-17-27(23)31(19)25-15-7-3-11-21(25)22-12-4-8-16-26(22)32-20(2)30-24-14-6-10-18-28(24)32;1-13-31-19-10-16(28)4-7-22(19)37(13)25-34-26(38-14(2)32-20-11-17(29)5-8-23(20)38)36-27(35-25)39-15(3)33-21-12-18(30)6-9-24(21)39;28-25(29,30)19-37-13-7-1-4-10-16(13)43(19)22-40-23(44-17-11-5-2-8-14(17)38-20(44)26(31,32)33)42-24(41-22)45-18-12-6-3-9-15(18)39-21(45)27(34,35)36;2*1-13-28-16-7-4-10-25-19(16)34(13)22-31-23(35-14(2)29-17-8-5-11-26-20(17)35)33-24(32-22)36-15(3)30-18-9-6-12-27-21(18)36/h4-24H,1-3H3;1-24H;7-15H,1-6H3;3-18H,1-2H3;4-12H,1-3H3;1-12H;2*4-12H,1-3H3.

What are the key properties of 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole?

1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole has a molecular weight of 4280.81 g/mol, XLogP of 51.35, 24 rotatable bonds, 0 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 157458102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).