Basic information
- CAS
92736-17-9- Standard SMILES
Oc1ccccc1-c1cc(-c2ccccc2)nc(NCCCNc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)n1- InChIKey
ZJRJQERZZYZPMO-UHFFFAOYSA-N- Molecular formula
- C35H30N6O2
- Average molar mass
- 566.7 g/mol
- Monoisotopic mass
- 566.24302422
Names & identifiers
- Preferred name
- 2-[2-[3-[[4-(2-Hydroxyphenyl)-6-phenylpyrimidin-2-yl]amino]propylamino]-6-phenylpyrimidin-4-yl]phenol
- IUPAC
- 2-[2-[3-[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]amino]propylamino]-6-phenylpyrimidin-4-yl]phenol
Names & synonyms
NSC33868792736-17-9DTXSID90419541NSC-338687(6E,6'E)-6,6'-{Propane-1,3-diylbis[azanediyl(6-phenylpyrimidin-2-yl-4-ylidene)]}di(cyclohexa-2,4-dien-1-one)
Database identifiers
- CAS
92736-17-9- PubChem CID
- 334263
- DTXSID
DTXSID90419541
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 743
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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