25-Methyl-5,8-diphenyl-6-oxa-25-azaheptacyclo[10.6.6.15,8.02,11.04,9.013,18.019,24]pentacosa-13,15,17,19,21,23-hexaene-3,7,10-trione
Basic information
- CAS
55975-65-0- Standard SMILES
CN1C2(c3ccccc3)OC(=O)C1(c1ccccc1)C1C(=O)C3C4c5ccccc5C(c5ccccc54)C3C(=O)C12- InChIKey
IUBAURKGIHZUSJ-UHFFFAOYSA-N- Molecular formula
- C36H27NO4
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 537.19400834
Names & identifiers
- Preferred name
- 25-Methyl-5,8-diphenyl-6-oxa-25-azaheptacyclo[10.6.6.15,8.02,11.04,9.013,18.019,24]pentacosa-13,15,17,19,21,23-hexaene-3,7,10-trione
- IUPAC
- 25-methyl-5,8-diphenyl-6-oxa-25-azaheptacyclo[10.6.6.15,8.02,11.04,9.013,18.019,24]pentacosa-13,15,17,19,21,23-hexaene-3,7,10-trione
Names & synonyms
NSC25466155975-65-0DTXSID50330425NSC-25466125-Methyl-5,8-diphenyl-6-oxa-25-azaheptacyclo[10.6.6.1~5,8~.0~2,11~.0~4,9~.0~13,18~.0~19,24~]pentacosa-13,15,17,19,21,23-hexaene-3,7,10-trione
Database identifiers
- CAS
55975-65-0- PubChem CID
- 429384
- DTXSID
DTXSID50330425
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,110
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Compound notes
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