N3,N4-bis(2,5-ditert-butylphenyl)perylene-3,4-dicarboxamide

Systemtic Name: N3,N4-bis(2,5-ditert-butylphenyl)perylene-3,4-dicarboxamide Openeye Name: N3,N4-bis(2,5-ditert-butylphenyl)perylene-3,4-dicarboxamide CAS Name: N3,N4-bis(2,5-ditert-butylphenyl)perylene-3,4-dicarboxamide IUPAC Name: 3-N,4-N-bis(2,5-ditert-butylphenyl)perylene-3,4-dicarboxamide Traditional Name: N,N'-bis(2,5-ditert-butylphenyl)perylene-3,4-dicarboxamide Formula: C50H54N2O2 MolecularWeight: 714.97596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)NC(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6)C(=O)NC7=C(C=CC(=C7)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)NC(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6)C(=O)NC7=C(C=CC(=C7)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C50H54N2O2/c1-47(2,3)30-19-25-38(49(7,8)9)40(27-30)51-45(53)36-23-21-34-32-17-13-15-29-16-14-18-33(42(29)32)35-22-24-37(44(36)43(34)35)46(54)52-41-28-31(48(4,5)6)20-26-39(41)50(10,11)12/h13-28H,1-12H3,(H,51,53)(H,52,54)