4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole

C154H107N15 — CID 163510627

IUPAC4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
SMILESCCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21
InChIInChI=1S/C42H30N4.C39H27N3.C38H25N3.C35H25N5/c1-29-17-16-28-36-38(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-37(30-18-6-2-7-19-30)39(31-20-8-3-9-21-31)44(33-24-12-5-13-25-33)40(41)32-22-10-4-11-23-32;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;1-24-11-10-20-36-37(24)39-38-40(34-18-8-9-19-35(34)41(36)38)25-21-22-32-30-16-5-4-14-28(30)26-12-2-3-13-27(26)29-15-6-7-17-31(29)33(32)23-25;1-24-14-13-23-30-31(24)36-35-39(30)28-21-11-12-22-29(28)40(35)34-37-32(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)38(34)27-19-9-4-10-20-27/h2-28H,1H3;3-24H,2H2,1H3;2-23H,1H3;2-23H,1H3/b;29-27-,30-28-,33-31-,34-32-;28-26-,29-27-,32-30-,33-31-;/i;;1D3;
InChIKeyDCKBWKDVOQGQAM-QVCXODCRSA-N
MW2170.67 g/mol
LogP38.49
Rot. Bonds13

About 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole

4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 163510627) has the molecular formula C154H107N15 and a molecular weight of 2170.67 g/mol. Its IUPAC name is 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID163510627
Molecular FormulaC154H107N15
Molecular Weight2170.67 g/mol
Exact Mass2168.90
IUPAC Name4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
SMILESCCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21
InChIInChI=1S/C42H30N4.C39H27N3.C38H25N3.C35H25N5/c1-29-17-16-28-36-38(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-37(30-18-6-2-7-19-30)39(31-20-8-3-9-21-31)44(33-24-12-5-13-25-33)40(41)32-22-10-4-11-23-32;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;1-24-11-10-20-36-37(24)39-38-40(34-18-8-9-19-35(34)41(36)38)25-21-22-32-30-16-5-4-14-28(30)26-12-2-3-13-27(26)29-15-6-7-17-31(29)33(32)23-25;1-24-14-13-23-30-31(24)36-35-39(30)28-21-11-12-22-29(28)40(35)34-37-32(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)38(34)27-19-9-4-10-20-27/h2-28H,1H3;3-24H,2H2,1H3;2-23H,1H3;2-23H,1H3/b;29-27-,30-28-,33-31-,34-32-;28-26-,29-27-,32-30-,33-31-;/i;;1D3;
InChIKeyDCKBWKDVOQGQAM-QVCXODCRSA-N
XLogP38.49
TPSA111.67 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002170.67
LogP ≤ 538.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 137364519
2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;4-methyl-6-(3,4,5-triphenylfuran-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,3,4-triphenylpyrazol-5-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(3,4,5-triphenylthiophen-2-yl)benzimidazolo[1,2-a]benzimidazole;2-phenyl-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole;6-(1,2,4,5-tetraphenylpyrrol-3-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole;6-(1,3,4,5-tetraphenylpyrrol-2-yl)-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 161437484
2-(5-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)-6-[11-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]tetraphenylen-2-yl]benzonitrile
CID 140961220
5-[3-(2,3,5,6-tetraphenylphenyl)phenyl]-4,7-bis(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 140947900
2-[4-tert-butyl-3-[11-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)tetraphenylen-2-yl]phenyl]-1,3,4,5,6-pentakis-phenyl-1,3,5,2,4,6-triazatriborinane
CID 158553268
4-(cyclopentylmethyl)-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-(1-deuteriocyclopentyl)-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 163648772
4-(pyrimidin-4-ylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 158873227
4-methyl-6-[3-[4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 157370253
4-[(4,6-diphenylpyrimidin-2-yl)methyl]-6-[3-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-(pyrazin-2-ylmethyl)-6-[3-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-(pyridin-2-ylmethyl)-6-[3-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-(pyrimidin-2-ylmethyl)-6-[3-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 159308644
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
6-[4-(2,3-dimethylphenyl)-6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-1,3,5-triazin-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole
CID 170295075
4-(2,2-dideuteriopropyl)-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-[4-(2,2,4,4,4-pentadeuteriobutyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 161381961

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole (CID 163510627) is 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole is CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)c3ccccc3n21.Cc1cccc2c1nc1n(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c3ccccc3n21.[2H]C([2H])([2H])c1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21.
What is the InChIKey of 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is DCKBWKDVOQGQAM-QVCXODCRSA-N. The full InChI is InChI=1S/C42H30N4.C39H27N3.C38H25N3.C35H25N5/c1-29-17-16-28-36-38(29)43-42-45(36)34-26-14-15-27-35(34)46(42)41-37(30-18-6-2-7-19-30)39(31-20-8-3-9-21-31)44(33-24-12-5-13-25-33)40(41)32-22-10-4-11-23-32;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;1-24-11-10-20-36-37(24)39-38-40(34-18-8-9-19-35(34)41(36)38)25-21-22-32-30-16-5-4-14-28(30)26-12-2-3-13-27(26)29-15-6-7-17-31(29)33(32)23-25;1-24-14-13-23-30-31(24)36-35-39(30)28-21-11-12-22-29(28)40(35)34-37-32(25-15-5-2-6-16-25)33(26-17-7-3-8-18-26)38(34)27-19-9-4-10-20-27/h2-28H,1H3;3-24H,2H2,1H3;2-23H,1H3;2-23H,1H3/b;29-27-,30-28-,33-31-,34-32-;28-26-,29-27-,32-30-,33-31-;/i;;1D3;.
What are the key properties of 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 2170.67 g/mol, XLogP of 38.49, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,2,4,5-tetraphenylpyrrol-3-yl)benzimidazolo[1,2-a]benzimidazole;4-methyl-6-(1,4,5-triphenylimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 163510627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).