4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole

C207H156F3N15 — CID 158270896

IUPAC4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(C)CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.CC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.CC(C)CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C([2H])(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21
InChIInChI=1S/C43H32F3N3.C43H35N3.C42H33N3.C40H29N3.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;1-43(2,3)26-25-28-13-12-22-40-41(28)44-42-45(38-20-10-11-21-39(38)46(40)42)29-23-24-36-34-18-7-6-16-32(34)30-14-4-5-15-31(30)33-17-8-9-19-35(33)37(36)27-29;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;1-25(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;1-2-25-12-11-21-37-38(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;4-24,27H,25-26H2,1-3H3;3-21,24-27H,22-23H2,1-2H3;3-25H,1-2H3;3-24H,2H2,1H3/b31-29-,32-30-,35-33-,36-34-;2*32-30-,33-31-,36-34-,37-35-;30-28-,31-29-,34-32-,35-33-;29-27-,30-28-,33-31-,34-32-/i;;;1D3,25D;1D3
InChIKeyGIZZTHUYGRNTSM-MHMYAMKZSA-N
MW2917.67 g/mol
LogP54.84
Rot. Bonds17

About 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole

4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 158270896) has the molecular formula C207H156F3N15 and a molecular weight of 2917.67 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID158270896
Molecular FormulaC207H156F3N15
Molecular Weight2917.67 g/mol
Exact Mass2915.31
IUPAC Name4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(C)CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.CC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.CC(C)CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C([2H])(C)c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21
InChIInChI=1S/C43H32F3N3.C43H35N3.C42H33N3.C40H29N3.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;1-43(2,3)26-25-28-13-12-22-40-41(28)44-42-45(38-20-10-11-21-39(38)46(40)42)29-23-24-36-34-18-7-6-16-32(34)30-14-4-5-15-31(30)33-17-8-9-19-35(33)37(36)27-29;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;1-25(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;1-2-25-12-11-21-37-38(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;4-24,27H,25-26H2,1-3H3;3-21,24-27H,22-23H2,1-2H3;3-25H,1-2H3;3-24H,2H2,1H3/b31-29-,32-30-,35-33-,36-34-;2*32-30-,33-31-,36-34-,37-35-;30-28-,31-29-,34-32-,35-33-;29-27-,30-28-,33-31-,34-32-/i;;;1D3,25D;1D3
InChIKeyGIZZTHUYGRNTSM-MHMYAMKZSA-N
XLogP54.84
TPSA111.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002917.67
LogP ≤ 554.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole (CID 158270896) is 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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)(C)CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.CC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.CC(C)CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.[2H]C([2H])([2H])C([2H])(C)c1cccc2c1nc1n(-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-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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 GIZZTHUYGRNTSM-MHMYAMKZSA-N. The full InChI is InChI=1S/C43H32F3N3.C43H35N3.C42H33N3.C40H29N3.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;1-43(2,3)26-25-28-13-12-22-40-41(28)44-42-45(38-20-10-11-21-39(38)46(40)42)29-23-24-36-34-18-7-6-16-32(34)30-14-4-5-15-31(30)33-17-8-9-19-35(33)37(36)27-29;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;1-25(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;1-2-25-12-11-21-37-38(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;4-24,27H,25-26H2,1-3H3;3-21,24-27H,22-23H2,1-2H3;3-25H,1-2H3;3-24H,2H2,1H3/b31-29-,32-30-,35-33-,36-34-;2*32-30-,33-31-,36-34-,37-35-;30-28-,31-29-,34-32-,35-33-;29-27-,30-28-,33-31-,34-32-/i;;;1D3,25D;1D3.
What are the key properties of 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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 2917.67 g/mol, XLogP of 54.84, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)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 158270896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).