Basic information
- Standard SMILES
C=CCN(CC=C)CCCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCCN(CC=C)CC=C)ccc1O2- InChIKey
MRORFXNNTZYJSY-UHFFFAOYSA-N- Molecular formula
- C35H44N2O3
- Average molar mass
- 540.7 g/mol
Names & identifiers
- Preferred name
- 5-(diallylamino)-1-[7-[5-(diallylamino)pentanoyl]-9H-xanthen-2-yl]pentan-1-one
- IUPAC
- 5-[bis(prop-2-enyl)amino]-1-[7-[5-[bis(prop-2-enyl)amino]pentanoyl]-9H-xanthen-2-yl]pentan-1-one
Names & synonyms
SCHEMBL11805079MRORFXNNTZYJSY-UHFFFAOYSA-N2,7-BIS[5-(DIALLYLAMINO)VALERYL]XANTHENE1-Pentanone, 1,1'-(9H-xanthene-2,7-diyl)bis[5-(di-2-propenylamino)-5-(diallylamino)-1-[7-[5-(diallylamino)pentanoyl]-9H-xanthen-2-yl]pentan-1-one
Database identifiers
- PubChem CID
- 515404
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 20
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 752
Related reactions
1 records
Compound notes
Loading…