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9,10-bis(naphthalen-2-yl)anthracen-2-ylboronic acid

9,10-bis(naphthalen-2-yl)anthracen-2-ylboronic acid

CAS: 867044-28-8

Formula: C34H23BO2

SMILES: OB(O)C1=CC2=C(C3=CC4=CC=CC=C4C=C3)C3=CC=CC=C3C(C3=CC4=CC=CC=C4C=C3)=C2C=C1

IUPAC: [9,10-bis(naphthalen-2-yl)anthracen-2-yl]boronic acid

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

Composition: C (86.09%), H (4.89%), B (2.28%), O (6.75%)

Molar Mass: 474.37

Atom Count: 60

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 7
Asymmetric Atom Count 0
Exact Mass 474.17911
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NVPJWLBDGLWXCH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 146.68
Topological Polar Surface Area 40.46
Polarizability 66.41
Ring Count 7
Rotatable Bond Count 3

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