4,4',4'',4'''-(Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acid
Basic information
- CAS
2216715-50-1- Standard SMILES
O=C(O)c1ccc(-c2nc3cc4nc(-c5ccc(C(=O)O)cc5)c(-c5ccc(C(=O)O)cc5)nc4cc3nc2-c2ccc(C(=O)O)cc2)cc1- InChIKey
BBMPHLZUTCPFIZ-UHFFFAOYSA-N- Molecular formula
- C38H22N4O8
- Average molar mass
- 662.6 g/mol
- Monoisotopic mass
- 662.14376367
Names & identifiers
- Preferred name
- 4,4',4'',4'''-(Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acid
- IUPAC
- 4-[2,3,7-tris(4-carboxyphenyl)pyrazino[2,3-g]quinoxalin-8-yl]benzoic acid
- English name
- 4,4',4",4'"-(pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acid
- Molecular formula
- C38H22N4O8
- Molecular weight
- 662.6
Names & synonyms
2216715-50-14,4',4'',4'''-(Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acid4,4',4",4'"-(Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acidorb3213898C38H22N4O8MFCD34473587CS-0170118F889724-[2,3,7-tris(4-carboxyphenyl)pyrazino[2,3-g]quinoxalin-8-yl]benzoic acidBenzoic acid, 4,4',4'',4'''-pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayltetrakis-4,4',4'',4'''-(pyridineazinebenzo[2,3-g]quinoline-2,3,7,8-tetrayl)tetrabenzenemacetic acid
Database identifiers
- CAS
2216715-50-1- PubChem CID
- 139203267
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 899.2 · 899.2±65.0 °C(Predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- pka
- 2.71 · 2.71±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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