3-[[6-[bis(3-hydroxyphenyl)amino]pyren-1-yl]-(3-hydroxyphenyl)amino]phenol

Systemtic Name: 3-[[6-[bis(3-hydroxyphenyl)amino]pyren-1-yl]-(3-hydroxyphenyl)amino]phenol Openeye Name: 3-(3-hydroxy-N-[6-(3-hydroxy-N-(3-hydroxyphenyl)anilino)pyren-1-yl]anilino)phenol CAS Name: 3-(3-hydroxy-N-[6-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-1-pyrenyl]anilino)phenol IUPAC Name: 3-(3-hydroxy-N-[6-(3-hydroxy-N-(3-hydroxyphenyl)anilino)pyren-1-yl]anilino)phenol Traditional Name: 3-(3-hydroxy-N-[6-(3-hydroxy-N-(3-hydroxyphenyl)anilino)pyren-1-yl]anilino)phenol Formula: C40H28N2O4 MolecularWeight: 600.66132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)N(C2=CC(=CC=C2)O)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C=C3

Isomeric SMILES

C1=CC(=CC(=C1)O)N(C2=CC(=CC=C2)O)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C=C3

InChI

InChI=1S/C40H28N2O4/c43-31-9-1-5-27(21-31)41(28-6-2-10-32(44)22-28)37-19-15-25-14-18-36-38(20-16-26-13-17-35(37)39(25)40(26)36)42(29-7-3-11-33(45)23-29)30-8-4-12-34(46)24-30/h1-24,43-46H