3-hydroxy-4-[[4-[4-[[2-hydroxy-3-(C-hydroxy-N-naphthalen-1-ylcarbonimidoyl)naphthalen-1-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-naphthalen-1-ylnaphthalene-2-carboximidic acid
Basic information
- CAS
76412-88-9- Standard SMILES
COc1cc(-c2ccc(N=Nc3c(O)c(C(O)=Nc4cccc5ccccc45)cc4ccccc34)c(OC)c2)ccc1N=Nc1c(O)c(C(O)=Nc2cccc3ccccc23)cc2ccccc12- InChIKey
VTVREVJAOXNDIZ-UHFFFAOYSA-N- Molecular formula
- C56H40N6O6
- Average molar mass
- 893 g/mol
- Monoisotopic mass
- 892.30093302
Names & identifiers
- Preferred name
- 3-hydroxy-4-[[4-[4-[[2-hydroxy-3-(C-hydroxy-N-naphthalen-1-ylcarbonimidoyl)naphthalen-1-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-naphthalen-1-ylnaphthalene-2-carboximidic acid
- IUPAC
- 3-hydroxy-4-[[4-[4-[[2-hydroxy-3-(C-hydroxy-N-naphthalen-1-ylcarbonimidoyl)naphthalen-1-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-naphthalen-1-ylnaphthalene-2-carboximidic acid
Names & synonyms
VTVREVJAOXNDIZ-UHFFFAOYSA-N
Database identifiers
- CAS
76412-88-9- PubChem CID
- 136830304
Properties
Computed structural properties
- XLogP
- 15.2
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,640
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Compound notes
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