Basic information
- CAS
3812-22-4- Standard SMILES
O=C1C(C2(C3C(=O)N(c4ccccc4)N(c4ccccc4)C3=O)C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C(=O)N(c2ccccc2)N1c1ccccc1- InChIKey
NAMVGYMNDWZPDQ-UHFFFAOYSA-N- Molecular formula
- C45H32N6O6
- Average molar mass
- 752.8 g/mol
- Monoisotopic mass
- 752.23833276
Names & identifiers
- Preferred name
- [4,4':4',4''-Terpyrazolidine]-3,3',3'',5,5',5''-hexone, 1,1',1'',2,2',2''-hexaphenyl-
- IUPAC
- 4,4-bis(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-1,2-diphenylpyrazolidine-3,5-dione
- English name
- 1,1',1'',2,2',2''-Hexaphenyl[4,4':4',4''-terpyrazolidine]-3,3',3'',5,5',5''-hexone
- Molecular weight
- 0
Names & synonyms
Tripyraphene3812-22-4[4,4':4',4''-Terpyrazolidine]-3,3',3'',5,5',5''-hexone, 1,1',1'',2,2',2''-hexaphenyl-BRN 0604949(4,4':4',4''-Terpyrazolidine)-3,3',3'',5,5',5''-hexone, 1,1',1'',2,2',2''-hexaphenyl-DTXSID60191529RefChem:208418DTXCID50114020NAMVGYMNDWZPDQ-UHFFFAOYSA-NDA 3691,1',1'',2,2',2''-Hexaphenyl-(4,4':4',4''-terpyrazolidine)-3,3',3'',5,5',5''-hexone1,1',1'',2,2',2''-Hexaphenyl-[4,4':4',4''-terpyrazolidine]-3,3',3'',5,5',5''-hexaone
Show more names
DA-369
SCHEMBL294896961,1',1'',2,2',2''-Hexaphenyl[4,4':4',4''-terpyrazolidine]-3,3',3'',5,5',5''-hexone1~1~,1~2~,2~1~,2~2~,3~1~,3~2~-Hexaphenyl[1~4~,2~4~:2~4~,3~4~-terpyrazolidine]-1~3~,1~5~,2~3~,2~5~,3~3~,3~5~-hexone
Database identifiers
- CAS
3812-22-4- PubChem CID
- 77429
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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