4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole

C327H243F3N24 — CID 159185151

IUPAC4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.CCCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C(C)(C)Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C(C)(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C(C)(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])CCCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21
InChIInChI=1S/C43H32F3N3.C42H33N3.3C41H31N3.2C40H29N3.C39H27N3/c1-42(2,43(44,45)46)25-24-27-12-11-21-39-40(27)47-41-48(37-19-9-10-20-38(37)49(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)26-28;1-27(2)22-23-28-12-11-21-40-41(28)43-42-44(38-19-9-10-20-39(38)45(40)42)29-24-25-36-34-17-6-5-15-32(34)30-13-3-4-14-31(30)33-16-7-8-18-35(33)37(36)26-29;1-41(2,3)35-19-12-22-38-39(35)42-40-43(36-20-10-11-21-37(36)44(38)40)26-23-24-33-31-17-7-6-15-29(31)27-13-4-5-14-28(27)30-16-8-9-18-32(30)34(33)25-26;1-26(2)24-27-12-11-21-39-40(27)42-41-43(37-19-9-10-20-38(37)44(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)25-28;1-2-3-13-27-14-12-23-39-40(27)42-41-43(37-21-10-11-22-38(37)44(39)41)28-24-25-35-33-19-7-6-17-31(33)29-15-4-5-16-30(29)32-18-8-9-20-34(32)36(35)26-28;1-25(2)27-18-11-21-38-39(27)41-40-42(36-19-9-10-20-37(36)43(38)40)26-22-23-34-32-16-6-5-14-30(32)28-12-3-4-13-29(28)31-15-7-8-17-33(31)35(34)24-26;1-2-12-26-13-11-22-38-39(26)41-40-42(36-20-9-10-21-37(36)43(38)40)27-23-24-34-32-18-6-5-16-30(32)28-14-3-4-15-29(28)31-17-7-8-19-33(31)35(34)25-27;1-2-25-12-11-21-37-38(25)40-39-41(35-19-9-10-20-36(35)42(37)39)26-22-23-33-31-17-6-5-15-29(31)27-13-3-4-14-28(27)30-16-7-8-18-32(30)34(33)24-26/h3-23,26H,24-25H2,1-2H3;3-21,24-27H,22-23H2,1-2H3;4-25H,1-3H3;3-23,25-26H,24H2,1-2H3;4-12,14-26H,2-3,13H2,1H3;3-25H,1-2H3;3-11,13-25H,2,12H2,1H3;3-24H,2H2,1H3/b31-29-,32-30-,35-33-,36-34-;32-30-,33-31-,36-34-,37-35-;29-27-,30-28-,33-31-,34-32-;2*31-29-,32-30-,35-33-,36-34-;2*30-28-,31-29-,34-32-,35-33-;29-27-,30-28-,33-31-,34-32-/i;1D3,22D2,27D;1D3;26D;1D3;25D;;1D3
InChIKeyKNJWQIXCJMZOFL-AOZOGYKASA-N
MW4582.81 g/mol
LogP85.89
Rot. Bonds26

About 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole

4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 159185151) has the molecular formula C327H243F3N24 and a molecular weight of 4582.81 g/mol. Its IUPAC name is 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID159185151
Molecular FormulaC327H243F3N24
Molecular Weight4582.81 g/mol
Exact Mass4579.08
IUPAC Name4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.CCCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C(C)(C)Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C(C)(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C(C)(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])CCCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21
InChIInChI=1S/C43H32F3N3.C42H33N3.3C41H31N3.2C40H29N3.C39H27N3/c1-42(2,43(44,45)46)25-24-27-12-11-21-39-40(27)47-41-48(37-19-9-10-20-38(37)49(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)26-28;1-27(2)22-23-28-12-11-21-40-41(28)43-42-44(38-19-9-10-20-39(38)45(40)42)29-24-25-36-34-17-6-5-15-32(34)30-13-3-4-14-31(30)33-16-7-8-18-35(33)37(36)26-29;1-41(2,3)35-19-12-22-38-39(35)42-40-43(36-20-10-11-21-37(36)44(38)40)26-23-24-33-31-17-7-6-15-29(31)27-13-4-5-14-28(27)30-16-8-9-18-32(30)34(33)25-26;1-26(2)24-27-12-11-21-39-40(27)42-41-43(37-19-9-10-20-38(37)44(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)25-28;1-2-3-13-27-14-12-23-39-40(27)42-41-43(37-21-10-11-22-38(37)44(39)41)28-24-25-35-33-19-7-6-17-31(33)29-15-4-5-16-30(29)32-18-8-9-20-34(32)36(35)26-28;1-25(2)27-18-11-21-38-39(27)41-40-42(36-19-9-10-20-37(36)43(38)40)26-22-23-34-32-16-6-5-14-30(32)28-12-3-4-13-29(28)31-15-7-8-17-33(31)35(34)24-26;1-2-12-26-13-11-22-38-39(26)41-40-42(36-20-9-10-21-37(36)43(38)40)27-23-24-34-32-18-6-5-16-30(32)28-14-3-4-15-29(28)31-17-7-8-19-33(31)35(34)25-27;1-2-25-12-11-21-37-38(25)40-39-41(35-19-9-10-20-36(35)42(37)39)26-22-23-33-31-17-6-5-15-29(31)27-13-3-4-14-28(27)30-16-7-8-18-32(30)34(33)24-26/h3-23,26H,24-25H2,1-2H3;3-21,24-27H,22-23H2,1-2H3;4-25H,1-3H3;3-23,25-26H,24H2,1-2H3;4-12,14-26H,2-3,13H2,1H3;3-25H,1-2H3;3-11,13-25H,2,12H2,1H3;3-24H,2H2,1H3/b31-29-,32-30-,35-33-,36-34-;32-30-,33-31-,36-34-,37-35-;29-27-,30-28-,33-31-,34-32-;2*31-29-,32-30-,35-33-,36-34-;2*30-28-,31-29-,34-32-,35-33-;29-27-,30-28-,33-31-,34-32-/i;1D3,22D2,27D;1D3;26D;1D3;25D;;1D3
InChIKeyKNJWQIXCJMZOFL-AOZOGYKASA-N
XLogP85.89
TPSA177.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms354
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004582.81
LogP ≤ 585.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole (CID 159185151) is 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole is CC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.CCCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C(C)(C)Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C(C)(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C(C)(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])CCCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.
What is the InChIKey of 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is KNJWQIXCJMZOFL-AOZOGYKASA-N. The full InChI is InChI=1S/C43H32F3N3.C42H33N3.3C41H31N3.2C40H29N3.C39H27N3/c1-42(2,43(44,45)46)25-24-27-12-11-21-39-40(27)47-41-48(37-19-9-10-20-38(37)49(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)26-28;1-27(2)22-23-28-12-11-21-40-41(28)43-42-44(38-19-9-10-20-39(38)45(40)42)29-24-25-36-34-17-6-5-15-32(34)30-13-3-4-14-31(30)33-16-7-8-18-35(33)37(36)26-29;1-41(2,3)35-19-12-22-38-39(35)42-40-43(36-20-10-11-21-37(36)44(38)40)26-23-24-33-31-17-7-6-15-29(31)27-13-4-5-14-28(27)30-16-8-9-18-32(30)34(33)25-26;1-26(2)24-27-12-11-21-39-40(27)42-41-43(37-19-9-10-20-38(37)44(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)25-28;1-2-3-13-27-14-12-23-39-40(27)42-41-43(37-21-10-11-22-38(37)44(39)41)28-24-25-35-33-19-7-6-17-31(33)29-15-4-5-16-30(29)32-18-8-9-20-34(32)36(35)26-28;1-25(2)27-18-11-21-38-39(27)41-40-42(36-19-9-10-20-37(36)43(38)40)26-22-23-34-32-16-6-5-14-30(32)28-12-3-4-13-29(28)31-15-7-8-17-33(31)35(34)24-26;1-2-12-26-13-11-22-38-39(26)41-40-42(36-20-9-10-21-37(36)43(38)40)27-23-24-34-32-18-6-5-16-30(32)28-14-3-4-15-29(28)31-17-7-8-19-33(31)35(34)25-27;1-2-25-12-11-21-37-38(25)40-39-41(35-19-9-10-20-36(35)42(37)39)26-22-23-33-31-17-6-5-15-29(31)27-13-3-4-14-28(27)30-16-7-8-18-32(30)34(33)24-26/h3-23,26H,24-25H2,1-2H3;3-21,24-27H,22-23H2,1-2H3;4-25H,1-3H3;3-23,25-26H,24H2,1-2H3;4-12,14-26H,2-3,13H2,1H3;3-25H,1-2H3;3-11,13-25H,2,12H2,1H3;3-24H,2H2,1H3/b31-29-,32-30-,35-33-,36-34-;32-30-,33-31-,36-34-,37-35-;29-27-,30-28-,33-31-,34-32-;2*31-29-,32-30-,35-33-,36-34-;2*30-28-,31-29-,34-32-,35-33-;29-27-,30-28-,33-31-,34-32-/i;1D3,22D2,27D;1D3;26D;1D3;25D;;1D3.
What are the key properties of 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 4582.81 g/mol, XLogP of 85.89, 26 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 159185151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).