2-(3-methoxypropyl)benzo[lmn]benzo[4,5]imidazo[2,1-b][3,8]phenanthroline-1,3,6(2H)-trione
Basic information
- CAS
52671-74-6- Standard SMILES
COCCCN1C(=O)c2ccc3c(=O)n4c5ccccc5nc4c4ccc(c2c34)C1=O- InChIKey
PSAGCNRZKVKNBY-UHFFFAOYSA-N- Molecular formula
- C24H17N3O4
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.12190603
Names & identifiers
- Preferred name
- 2-(3-methoxypropyl)benzo[lmn]benzo[4,5]imidazo[2,1-b][3,8]phenanthroline-1,3,6(2H)-trione
- IUPAC
- 17-(3-methoxypropyl)-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione
Names & synonyms
52671-74-6Benzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione, 2-(3-methoxypropyl)-F0020-19792-(3-methoxypropyl)benzo[lmn]benzo[4,5]imidazo[2,1-b][3,8]phenanthroline-1,3,6(2H)-trioneDTXSID201126740SMSSF-0059192AKOS024574327EU-0067935SR-01000398631SR-01000398631-12-(3-methoxypropyl)benzimidazo[2,1-b]benzo[lmn]-3,8-phenanthroline-1,3,6(2H)-trione2-(3-Methoxypropyl)benzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione
Show more names
17-(3-methoxypropyl)-3,10,17-triazahexacyclo[13.6.2.0(2),(1).0,.0(1)(2),(2)(2).0(1),(2)(3)]tricosa-1(21),2,4(9),5,7,12,14,19,22-nonaene-11,16,18-trione17-(3-methoxypropyl)-3,10,17-triazahexacyclo[13.6.2.0^{2,10}.0^{4,9}.0^{12,22}.0^{19,23}]tricosa-1(21),2,4(9),5,7,12,14,19,22-nonaene-11,16,18-trione17-(3-methoxypropyl)-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,12,14,19(23),20-nonaene-11,16,18-trione
Database identifiers
- CAS
52671-74-6- PubChem CID
- 2901201
- DTXSID
DTXSID201126740
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 787
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