Basic information
- CAS
73855-97-7- Standard SMILES
Cc1c(-c2c(C)c(C(C)C)c3cc(O)c(O)c(C(=N)Cc4ccccc4)c3c2O)c(O)c2c(C(=N)Cc3ccccc3)c(O)c(O)cc2c1C(C)C- InChIKey
ZBIOYGHVOYCHLT-UHFFFAOYSA-N- Molecular formula
- C44H44N2O6
- Average molar mass
- 696.8 g/mol
- Monoisotopic mass
- 696.31993713
Names & identifiers
- Preferred name
- Naphthalene, 2,2'-bis(8-benzyliminomethyl-4-isopropyl-3-methyl-1,6,7-trihydroxy-
- IUPAC
- 3-methyl-8-(2-phenylethanimidoyl)-4-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(2-phenylethanimidoyl)-4-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
- English name
- 2,2'-Bi(8-benzyliminomethyl-4-isopropyl-3-methyl-1,6,7-naphthalenetriol)
- Molecular formula
- C44H44N2O6
- Molecular weight
- 696.83
Names & synonyms
73855-97-7NAPHTHALENE, 2,2'-BIS(8-BENZYLIMINOMETHYL-4-ISOPROPYL-3-METHYL-1,6,7-TRIHYDROXY-RefChem:10922472,2'-Bis(8-benzyliminomethyl-4-isopropyl-3-methyl-1,6,7-trihydroxynaphthalene)2,2'-Bi(8-benzyliminomethyl-4-isopropyl-3-methyl-1,6,7-naphthalenetriol)
Database identifiers
- CAS
73855-97-7- PubChem CID
- 52686
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 862.898 · 862.898±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.254 · 1.254±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.784 · 7.784±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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