8-Benzoyl-10-phenyl-11A,11B-dihydro-8H-pyrrolo(3',4':3,4)pyrrolo(2,1-A)phthalazine-9,11(8AH,10H)-dione
Basic information
- CAS
853330-06-0- Standard SMILES
O=C(c1ccccc1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2c3ccccc3C=NN12- InChIKey
XNLQKYRVCMBHDH-UHFFFAOYSA-N- Molecular formula
- C26H19N3O3
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.14264148
Names & identifiers
- Preferred name
- 8-Benzoyl-10-phenyl-11A,11B-dihydro-8H-pyrrolo(3',4':3,4)pyrrolo(2,1-A)phthalazine-9,11(8AH,10H)-dione
- IUPAC
- 11-benzoyl-14-phenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
- English name
- 11-benzoyl-14-phenyl-9,10,14-triazatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-2(7),3,5,8-tetraene-13,15-dione
- Molecular formula
- C26H19N3O3
- Molecular weight
- 421.45
Names & synonyms
8-BENZOYL-10-PHENYL-11A,11B-DIHYDRO-8H-PYRROLO(3',4':3,4)PYRROLO(2,1-A)PHTHALAZINE-9,11(8AH,10H)-DIONERefChem:547632853330-06-0665-164-3AKOS0244354578H-Pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione, 8-benzoyl-11a,11b-dihydro-10-phenyl-11-benzoyl-14-phenyl-9,10,14-triazatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-2(7),3,5,8-tetraene-13,15-dione
Database identifiers
- CAS
853330-06-0- PubChem CID
- 3502811
- EC Number
- 665-164-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 813
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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