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Structure

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

CAS
867044-35-7
Catalog Number
ACM867044357
Category
Boronic Acids
Molecular Weight
474.4g/mol
Molecular Formula
C34H23BO2

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Specification

IUPAC Name
(9,10-dinaphthalen-1-ylanthracen-2-yl)boronic acid
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
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.

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