1,4,5-tris[(4-butylphenyl)amino]anthracene-9,10-dione

Systemtic Name: 1,4,5-tris[(4-butylphenyl)amino]anthracene-9,10-dione Openeye Name: 1,4,5-tris(4-butylanilino)anthracene-9,10-dione CAS Name: 1,4,5-tris(4-butylanilino)anthracene-9,10-dione IUPAC Name: 1,4,5-tris(4-butylanilino)anthracene-9,10-dione Traditional Name: 1,4,5-tris(4-butylanilino)-9,10-anthraquinone Formula: C44H47N3O2 MolecularWeight: 649.86288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)CCCC)C(=O)C5=C(C3=O)C=CC=C5NC6=CC=C(C=C6)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)CCCC)C(=O)C5=C(C3=O)C=CC=C5NC6=CC=C(C=C6)CCCC

InChI

InChI=1S/C44H47N3O2/c1-4-7-11-30-16-22-33(23-17-30)45-37-15-10-14-36-40(37)44(49)42-39(47-35-26-20-32(21-27-35)13-9-6-3)29-28-38(41(42)43(36)48)46-34-24-18-31(19-25-34)12-8-5-2/h10,14-29,45-47H,4-9,11-13H2,1-3H3