N4,N4-bis[3-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N2,N2-bis(4-naphthalen-1-yloxyphenyl)-1H-pyrrole-2,4-diamine

Systemtic Name: N4,N4-bis[3-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N2,N2-bis(4-naphthalen-1-yloxyphenyl)-1H-pyrrole-2,4-diamine Openeye Name: N4,N4-bis[3-methoxy-5-(1-methyl-1-phenyl-ethyl)phenyl]-N2,N2-bis[4-(1-naphthyloxy)phenyl]-1H-pyrrole-2,4-diamine CAS Name: N4,N4-bis[3-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N2,N2-bis[4-(1-naphthalenyloxy)phenyl]-1H-pyrrole-2,4-diamine IUPAC Name: 4-N,4-N-bis[3-methoxy-5-(2-phenylpropan-2-yl)phenyl]-2-N,2-N-bis(4-naphthalen-1-yloxyphenyl)-1H-pyrrole-2,4-diamine Traditional Name: bis(3-cumyl-5-methoxy-phenyl)-[5-[4-(1-naphthoxy)-N-[4-(1-naphthoxy)phenyl]anilino]-1H-pyrrol-3-yl]amine Formula: C68H59N3O4 MolecularWeight: 982.21376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=CC(=C2)OC)N(C3=CC(=CC(=C3)C(C)(C)C4=CC=CC=C4)OC)C5=CNC(=C5)N(C6=CC=C(C=C6)OC7=CC=CC8=CC=CC=C87)C9=CC=C(C=C9)OC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=CC(=C2)OC)N(C3=CC(=CC(=C3)C(C)(C)C4=CC=CC=C4)OC)C5=CNC(=C5)N(C6=CC=C(C=C6)OC7=CC=CC8=CC=CC=C87)C9=CC=C(C=C9)OC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C68H59N3O4/c1-67(2,49-23-9-7-10-24-49)51-39-55(43-60(41-51)72-5)70(56-40-52(42-61(44-56)73-6)68(3,4)50-25-11-8-12-26-50)57-45-66(69-46-57)71(53-31-35-58(36-32-53)74-64-29-17-21-47-19-13-15-27-62(47)64)54-33-37-59(38-34-54)75-65-30-18-22-48-20-14-16-28-63(48)65/h7-46,69H,1-6H3