3,6-Bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]xanthylium
Basic information
- CAS
780690-76-8- Standard SMILES
CCN(CC)c1ccc2nc3c4ccccc4c(=NC(=O)c4ccccc4-c4c5ccc(N(CC)CC)cc5[o+]c5cc(N(CC)CC)ccc45)cc-3oc2c1- InChIKey
CVWMZXWOOSBLHF-UHFFFAOYSA-N- Molecular formula
- C48H48N5O3+
- Average molar mass
- 742.9 g/mol
- Monoisotopic mass
- 742.37571541
Names & identifiers
- Preferred name
- 3,6-Bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]xanthylium
- IUPAC
- 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide
Names & synonyms
RhodanileblueSCHEMBL12344046DTXSID901376437AKOS0243873833,6-Bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]xanthyliumST510399311-{2-[3,7-bis(diethylamino)dibenzo[b,e]oxin-10-yl]phenyl}-2-[9-(diethylamino)b enzo[a]phenoxazin-5-ylidene]-2-azaethan-1-one780690-76-8
Database identifiers
- CAS
780690-76-8- PubChem CID
- 73373
- DTXSID
DTXSID901376437- Nikkaji
- J245.645A
Properties
Computed structural properties
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 56
- Formal charge
- 1
- Complexity
- 1,400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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