CAS
958002-18-1 Purity
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958002-18-1 Purity
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![11,12-Bis[N-methyl-1H-benzimidazolium-3-methylene]-9,10-dihydro-9,10-ethanoanthracene bis(trifluoromethanesulfonate)](https://resource.alfa-chemistry.com/structure/958004-03-0.gif)
![(12a,18a)-5,6,12,12a,13,18,18a,19-Octahydro-5,6-dimethyl-13,18[1',2']-benzenobisbenzimidazo[1,2-b:2',1'-d]benzo[i][2.5]benzodiazocine](https://resource.alfa-chemistry.com/structure/958004-04-1.gif)
![11,12-Bis[N-(i-propyl)-1H-benzimidazolium-3-methylene]-9,10-dihydro-9,10-ethanoanthracene bis(trifluoromethanesulfonate)](https://resource.alfa-chemistry.com/structure/958004-12-1.gif)
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11,12-Bis[1,3-dihydro-3-(i-propyl)-2H-benzimidazol-2-ylidene-3-methylene]-9,10-dihydro-9,10-ethanoanthracene
CAS
958004-05-2
Catalog Number
ACM958004052
Category
Other Products
Molecular Formula
C38N38N4
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Specification
Synonyms
11,12-Bis[1,3-dihydro-3-(i-propyl)-2H-benzimidazol-2-ylidene-3-methylene]-9,10-dihydro-9,10-ethanoanthracene
What is the molecular formula of the compound?
The molecular formula is C38H38N4.
What are the synonyms of the compound?
The synonyms are 11,12-Bis[1,3-dihydro-3-(i-propyl)-2H-benzimidazol-2-ylidene-3-methylene]-9,10-dihydro-9,10-ethanoanthracene and (12Z)-11,14-Di(propan-2-yl)-4,11,14,21-tetrazanonacyclo[22.6.6.02,23.04,12.05,10.013,21.015,20.025,30.031,36]hexatriaconta-5,7,9,12,15,17,19,25,27,29,31,33,35-tridecaene.
What is the molecular weight of the compound?
The molecular weight is 550.7 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (12Z)-11,14-di(propan-2-yl)-4,11,14,21-tetrazanonacyclo[22.6.6.02,23.04,12.05,10.013,21.015,20.025,30.031,36]hexatriaconta-5,7,9,12,15,17,19,25,27,29,31,33,35-tridecaene.
What is the InChI of the compound?
The InChI is InChI=1S/C38H38N4/c1-23(2)41-33-19-11-9-17-31(33)39-21-29-30(22-40-32-18-10-12-20-34(32)42(24(3)4)38(40)37(39)41)36-27-15-7-5-13-25(27)35(29)26-14-6-8-16-28(26)36/h5-20,23-24,29-30,35-36H,21-22H2,1-4H3/b38-37-.
What is the InChIKey of the compound?
The InChIKey is MQDAPFBOMMZQEQ-DTTHWBISSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(C)N1C2=CC=CC=C2N3C1=C4N(CC5C(C3)C6C7=CC=CC=C7C5C8=CC=CC=C68)C9=CC=CC=C9N4C(C)C.
What is the isomeric SMILES of the compound?
The isomeric SMILES is CC(C)N\1C2=CC=CC=C2N3/C1=C/4\N(CC5C(C3)C6C7=CC=CC=C7C5C8=CC=CC=C68)C9=CC=CC=C9N4C(C)C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 8.7.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
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