9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid

• Catalog Number: ACM867044357
• Product Name: 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid
• CAS: 867044-35-7
• Category: Boronic Acids
• IUPAC Name: (9,10-dinaphthalen-1-ylanthracen-2-yl)boronic acid
• Molecular Weight: 474.4g/mol
• Molecular Formula: C34H23BO2
• Canonical SMILES: B(C1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76)(O)O
• InChI: InChI=1S/C34H23BO2/c36-35(37)24-19-20-31-32(21-24)34(28-18-8-12-23-10-2-4-14-26(23)28)30-16-6-5-15-29(30)33(31)27-17-7-11-22-9-1-3-13-25(22)27/h1-21,36-37H
• InChI Key: ZDUDFKLIZTVUIT-UHFFFAOYSA-N
• Complexity: 769
• Covalently-Bonded Unit Count: 1
• Exact Mass: 474.17911g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 37
• Monoisotopic Mass: 474.17911g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

The molecular formula is C34H23BO2.

What is the molecular weight of 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

The molecular weight is 474.4 g/mol.

How was the molecular weight computed?

It was computed by PubChem 2.1.

What is the IUPAC name of 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

The IUPAC name is (9,10-dinaphthalen-1-ylanthracen-2-yl)boronic acid.

What is the InChI of 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

The InChI is "InChI=1S/C34H23BO2/c36-35(37)24-19-20-31-32(21-24)34(28-18-8-12-23-10-2-4-14-26(23)28)30-16-6-5-15-29(30)33(31)27-17-7-11-22-9-1-3-13-25(22)27/h1-21,36-37H".

What is the InChIKey of 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

The InChIKey is "ZDUDFKLIZTVUIT-UHFFFAOYSA-N".

What is the canonical SMILES of 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

The canonical SMILES is "B(C1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76)(O)O".

How many hydrogen bond donor counts are there in 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

There are 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

There are 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 9,10-Di(naphthalene-1-yl)anthracen-2-ylboronic acid?

The topological polar surface area is 40.5Ų.