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4-hydroxy-4'-[tris({3'-formyl-4'-hydroxy-[1,1'-biphenyl]-4-yl})methyl]-[1,1'-biphenyl]-3-carbaldehyde

4-hydroxy-4'-[tris({3'-formyl-4'-hydroxy-[1,1'-biphenyl]-4-yl})methyl]-[1,1'-biphenyl]-3-carbaldehyde

Formula: C53H36O8

SMILES: OC1=C(C=O)C=C(C=C1)C1=CC=C(C=C1)C(C1=CC=C(C=C1)C1=CC(C=O)=C(O)C=C1)(C1=CC=C(C=C1)C1=CC(C=O)=C(O)C=C1)C1=CC=C(C=C1)C1=CC(C=O)=C(O)C=C1

IUPAC: 4-hydroxy-4'-[tris({3'-formyl-4'-hydroxy-[1,1'-biphenyl]-4-yl})methyl]-[1,1'-biphenyl]-3-carbaldehyde

InChI: InChI=1S/C53H36O8/c54-29-41-25-37(9-21-49(41)58)33-1-13-45(14-2-33)53(46-15-3-34(4-16-46)38-10-22-50(59)42(26-38)30-55,47-17-5-35(6-18-47)39-11-23-51(60)43(27-39)31-56)48-19-7-36(8-20-48)40-12-24-52(61)44(28-40)32-57/h1-32,58-61H

Composition: C (79.49%), H (4.53%), O (15.98%)

Molar Mass: 800.863

Atom Count: 97

Heavy Atom Count: 61

Properties
Properties
Common Names N/A
Aromatic Ring Count 8
Asymmetric Atom Count 0
Exact Mass 800.241018119
Formal Charge 0
FSP3 0.02
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey UXCIKBHOPWEHKF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 239.81
Topological Polar Surface Area 149.2
Polarizability 94.81
Ring Count 8
Rotatable Bond Count 12

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