Text Search
Structure Search

3'-{4-carboxy-3-[10-(2-carboxy-5-{4'-carboxy-[1,1'-biphenyl]-3-yl}phenyl)anthracen-9-yl]phenyl}-[1,1'-biphenyl]-4-carboxylic acid

3'-{4-carboxy-3-[10-(2-carboxy-5-{4'-carboxy-[1,1'-biphenyl]-3-yl}phenyl)anthracen-9-yl]phenyl}-[1,1'-biphenyl]-4-carboxylic acid

Formula: C54H34O8

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC(=CC=C1)C1=CC(=C(C=C1)C(O)=O)C1=C2C=CC=CC2=C(C2=CC=CC=C12)C1=C(C=CC(=C1)C1=CC=CC(=C1)C1=CC=C(C=C1)C(O)=O)C(O)=O

IUPAC: 3'-{4-carboxy-3-[10-(2-carboxy-5-{4'-carboxy-[1,1'-biphenyl]-3-yl}phenyl)anthracen-9-yl]phenyl}-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C54H34O8/c55-51(56)33-19-15-31(16-20-33)35-7-5-9-37(27-35)39-23-25-45(53(59)60)47(29-39)49-41-11-1-2-12-42(41)50(44-14-4-3-13-43(44)49)48-30-40(24-26-46(48)54(61)62)38-10-6-8-36(28-38)32-17-21-34(22-18-32)52(57)58/h1-30H,(H,55,56)(H,57,58)(H,59,6

Composition: C (79.99%), H (4.23%), O (15.78%)

Molar Mass: 810.858

Atom Count: 96

Heavy Atom Count: 62

Properties
Properties
Common Names N/A
Aromatic Ring Count 9
Asymmetric Atom Count 0
Exact Mass 810.225368055
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey FCFWETFMNTVATB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 238.8
Topological Polar Surface Area 149.2
Polarizability 100.79
Ring Count 9
Rotatable Bond Count 8

Suppliers

No suppliers are currently stocking this item.