11-Phenyl-1-pyridin-3-yl-8-(pyridin-3-ylmethyl)-11,14-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,15-trione
Basic information
- CAS
87748-14-9- Standard SMILES
O=C1C2C(C(=O)N1c1ccccc1)C1(c3cccnc3)NC(=O)C2(Cc2cccnc2)c2ccccc21- InChIKey
AAKAKEAFBDTRJZ-UHFFFAOYSA-N- Molecular formula
- C30H22N4O3
- Average molar mass
- 486.5 g/mol
- Monoisotopic mass
- 486.16919058
Names & identifiers
- Preferred name
- 11-Phenyl-1-pyridin-3-yl-8-(pyridin-3-ylmethyl)-11,14-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,15-trione
- IUPAC
- 11-phenyl-1-pyridin-3-yl-8-(pyridin-3-ylmethyl)-11,14-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,15-trione
Names & synonyms
NSC37737487748-14-9DTXSID80321543NSC-3773742-Phenyl-4-(pyridin-3-yl)-9-[(pyridin-3-yl)methyl]-3a,4,9,9a-tetrahydro-1H-4,9-(epiminomethano)benzo[f]isoindole-1,3,10(2H)-trione
Database identifiers
- CAS
87748-14-9- PubChem CID
- 342105
- DTXSID
DTXSID80321543
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 949
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Compound notes
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