2,7-Bis(3-methoxypropyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2H,7H)-tetrone
Basic information
- CAS
84083-18-1- Standard SMILES
COCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCCOC)C3=O- InChIKey
VZEBIJMLBREBNW-UHFFFAOYSA-N- Molecular formula
- C22H22N2O6
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.14778643
Names & identifiers
- Preferred name
- 2,7-Bis(3-methoxypropyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2H,7H)-tetrone
- IUPAC
- 6,13-bis(3-methoxypropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
Names & synonyms
84083-18-1EINECS 282-067-82,7-Bis(3-methoxypropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetroneDTXSID3010043652,7-Bis(3-methoxypropyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2H,7H)-tetroneRefChem:83399DTXCID701431267282-067-82,7-Bis(3-methoxypropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone2,7-bis(3-methoxypropyl)benzo[lmn]-3,8-phenanthroline-1,3,6,8(2H,7H)-tetroneVZEBIJMLBREBNW-UHFFFAOYSA-NSTL495903
Show more names
AKOS000641010CS-0365002NS00059578ST503016026,13-bis(3-methoxypropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
Database identifiers
- CAS
84083-18-1- PubChem CID
- 2900151
- DTXSID
DTXSID301004365- EC Number
- 282-067-8
- Nikkaji
- J297.479G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
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Compound notes
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