3-amino-4'-[1,2,2-tris({3'-amino-4'-carboxy-[1,1'-biphenyl]-4-yl})ethenyl]-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1643112-47-3

Formula: C54H40N4O8

SMILES: NC1=CC(=CC=C1C(O)=O)C1=CC=C(C=C1)C(=C(C1=CC=C(C=C1)C1=CC=C(C(O)=O)C(N)=C1)C1=CC=C(C=C1)C1=CC=C(C(O)=O)C(N)=C1)C1=CC=C(C=C1)C1=CC=C(C(O)=O)C(N)=C1

IUPAC: 3-amino-4'-[1,2,2-tris({3'-amino-4'-carboxy-[1,1'-biphenyl]-4-yl})ethenyl]-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C54H40N4O8/c55-45-25-37(17-21-41(45)51(59)60)29-1-9-33(10-2-29)49(34-11-3-30(4-12-34)38-18-22-42(52(61)62)46(56)26-38)50(35-13-5-31(6-14-35)39-19-23-43(53(63)64)47(57)27-39)36-15-7-32(8-16-36)40-20-24-44(54(65)66)48(58)28-40/h1-28H,55-58H2,(H,59,

Composition: C (74.30%), H (4.62%), N (6.42%), O (14.66%)

Molar Mass: 872.934

Atom Count: 106

Heavy Atom Count: 66