1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene

• CAS: 911818-75-2
• Catalog Number: ACM911818752
• Category: Renewable & Alternative Energy
• Molecular Weight: 666.7161
• Molecular Formula: C₄₅H₃₀O₆
• Synonyms: 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene;H3BBC;5-(4-Carboxy[1,1-biphenyl]-4-yl)-[1,1:4,1:3,1:4,1-quinquephenyl]-4,4-dicarboxylic acid;H3TCBPB;TCBTB;TCBPB;1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene 95%

Custom Q&A

What is the molecular formula of 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene?

The molecular formula is C45H30O6.

What is the molecular weight of 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene?

The molecular weight is 666.7 g/mol.

What is the IUPAC name of 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene?

The IUPAC name is 4-[4-[3,5-bis[4-(4-carboxyphenyl)phenyl]phenyl]phenyl]benzoic acid.

What is the InChI of 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene?

The InChI is InChI=1S/C45H30O6/c46-43(47)37-19-13-31(14-20-37)28-1-7-34(8-2-28)40-25-41(35-9-3-29(4-10-35)32-15-21-38(22-16-32)44(48)49)27-42(26-40)36-11-5-30(6-12-36)33-17-23-39(24-18-33)45(50,51)/h1-27H,(H,46,47)(H,48,49)(H,50,51).

What is the InChIKey of 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene?

The InChIKey is PEQRGMPXYDIZSX-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene?

The Canonical SMILES is C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)O.

What is the XLogP3-AA value of 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene?

The XLogP3-AA value is 10.3.

How many hydrogen bond donor counts does 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene have?

It has 3 hydrogen bond donor counts.

What is the topological polar surface area of 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene?

The topological polar surface area is 112Ų.

How many rotatable bond count does 1,3,5-Tris(4-carboxy[1,1-biphenyl]-4-yl)benzene have?

It has 9 rotatable bond counts.