1,15-Bis(4'-trioxsalen)-2,6,10,14-tetramethyl-2,6,10,14-tetrazapentadecane
Basic information
- CAS
84067-18-5- Standard SMILES
Cc1cc2c(CN(C)CCCN(C)CCCN(C)CCCN(C)Cc3c4cc(C)oc4c(C)c4oc(=O)cc(C)c34)c3c(C)cc(=O)oc3c(C)c2o1- InChIKey
YPFZOFABMPOIMS-UHFFFAOYSA-N- Molecular formula
- C43H56N4O6
- Average molar mass
- 724.9 g/mol
- Monoisotopic mass
- 724.41998552
Names & identifiers
- Preferred name
- 1,15-Bis(4'-trioxsalen)-2,6,10,14-tetramethyl-2,6,10,14-tetrazapentadecane
- IUPAC
- 2,5,9-trimethyl-4-[[methyl-[3-[methyl-[3-[methyl-[3-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-4-yl)methyl]amino]propyl]amino]propyl]amino]propyl]amino]methyl]furo[3,2-g]chromen-7-one
- English name
- 1,15-bis(4'-trioxsalen)-2,6,10,14-tetramethyl-2,6,10,14-tetrazapentadecane
- Molecular formula
- C43H56N4O6
- Molecular weight
- 724.92794
Names & synonyms
BTPDN84067-18-51,15-Bis(4'-trioxsalen)-2,6,10,14-tetramethyl-2,6,10,14-tetrazapentadecaneDTXSID10232956RefChem:71206DTXCID401554477H-Furo(3,2-g)(1)benzopyran-7-one, 4,4'-(2,6,10,14-tetramethyl-2,6,10,14-tetraazapentadecane-1,15-diyl)bis(2,5,9-trimethyl)2,5,9-trimethyl-4-[[methyl-[3-[methyl-[3-[methyl-[3-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-4-yl)methyl]amino]propyl]amino]propyl]amino]propyl]amino]methyl]furo[3,2-g]chromen-7-one4,4'-(2,6,10,14-Tetramethyl-2,6,10,14-tetraazapentadecane-1,15-diyl)bis(2,5,9-trimethyl-7H-furo[3,2-g][1]benzopyran-7-one)7H-Furo(3,2-g)(1)benzopyran-7-one, 4,4'-(2,6,10,14-tetramethyl-2,6,10,14-tetraazapentadecane-1,15-diyl)bis(2,5,9-trimethyl-
Database identifiers
- CAS
84067-18-5- PubChem CID
- 134692
- DTXSID
DTXSID10232956
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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