3,12-Diethoxybisbenzimidazo(2,1-b:1',2'-j)benzo(lmn)(3,8)phenanthroline-6,9-dione
Basic information
- CAS
10144-81-7- Standard SMILES
CCOc1ccc2nc3c4ccc5c6c(ccc(c(=O)n3c2c1)c46)c(=O)n1c5nc2cccc(OCC)c21- InChIKey
QPBJLJJVELJVSW-UHFFFAOYSA-N- Molecular formula
- C30H20N4O4
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.14845513
Names & identifiers
- Preferred name
- 3,12-Diethoxybisbenzimidazo(2,1-b:1',2'-j)benzo(lmn)(3,8)phenanthroline-6,9-dione
- IUPAC
- 7,19-diethoxy-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,18(23),19,21,24,26(30),27-tridecaene-11,16-dione
- English name
- 3,12-diethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione
- Molecular formula
- C30H20N4O4
- Molecular weight
- 500.5
Names & synonyms
10144-81-7EINECS 233-413-13,12-Diethoxybisbenzimidazo(2,1-b:1',2'-j)benzo(lmn)(3,8)phenanthroline-6,9-dione3,12-Diethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dioneDTXSID70143933RefChem:90569DTXCID8066424233-413-17,19-diethoxy-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,18(23),19,21,24,26(30),27-tridecaene-11,16-dioneQPBJLJJVELJVSW-UHFFFAOYSA-NGX6LC7SUU3Bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione, 3,12-diethoxy-
Show more names
3,11-Diethoxybis[1,3]benzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione958777-68-9
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 978
Physicochemical properties
- Boiling point
- 916.9 · 916.9±75.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 1.38 · 1.38±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
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