N1,N4-bis(2,3-dioctylphenyl)benzene-1,4-diamine

Systemtic Name: N1,N4-bis(2,3-dioctylphenyl)benzene-1,4-diamine Openeye Name: N1,N4-bis(2,3-dioctylphenyl)benzene-1,4-diamine CAS Name: N1,N4-bis(2,3-dioctylphenyl)benzene-1,4-diamine IUPAC Name: 1-N,4-N-bis(2,3-dioctylphenyl)benzene-1,4-diamine Traditional Name: [4-(2,3-dioctylanilino)phenyl]-(2,3-dioctylphenyl)amine Formula: C50H80N2 MolecularWeight: 709.1836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)NC2=CC=C(C=C2)NC3=CC=CC(=C3CCCCCCCC)CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)NC2=CC=C(C=C2)NC3=CC=CC(=C3CCCCCCCC)CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C50H80N2/c1-5-9-13-17-21-25-31-43-33-29-37-49(47(43)35-27-23-19-15-11-7-3)51-45-39-41-46(42-40-45)52-50-38-30-34-44(32-26-22-18-14-10-6-2)48(50)36-28-24-20-16-12-8-4/h29-30,33-34,37-42,51-52H,5-28,31-32,35-36H2,1-4H3