[9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid

C38H27BO2 — CID 23160232

IUPAC[9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid
SMILESOB(O)c1ccc2c(-c3ccccc3-c3ccccc3)c3ccccc3c(-c3ccccc3-c3ccccc3)c2c1
InChIInChI=1S/C38H27BO2/c40-39(41)28-23-24-35-36(25-28)38(32-20-10-8-18-30(32)27-15-5-2-6-16-27)34-22-12-11-21-33(34)37(35)31-19-9-7-17-29(31)26-13-3-1-4-14-26/h1-25,40-41H
InChIKeyODKJOLIUFCCNOT-UHFFFAOYSA-N
MW526.44 g/mol
LogP8.34
Rot. Bonds5

About [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid

[9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid (PubChem CID 23160232) has the molecular formula C38H27BO2 and a molecular weight of 526.44 g/mol. Its IUPAC name is [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid.

Molecular Properties

Compound Name[9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid
PubChem CID23160232
Molecular FormulaC38H27BO2
Molecular Weight526.44 g/mol
Exact Mass526.21
IUPAC Name[9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid
SMILESOB(O)c1ccc2c(-c3ccccc3-c3ccccc3)c3ccccc3c(-c3ccccc3-c3ccccc3)c2c1
InChIInChI=1S/C38H27BO2/c40-39(41)28-23-24-35-36(25-28)38(32-20-10-8-18-30(32)27-15-5-2-6-16-27)34-22-12-11-21-33(34)37(35)31-19-9-7-17-29(31)26-13-3-1-4-14-26/h1-25,40-41H
InChIKeyODKJOLIUFCCNOT-UHFFFAOYSA-N
XLogP8.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.44
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid
CID 156787902
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
CID 69442046
(5,6-diphenylnaphthalen-2-yl)boronic acid
CID 150248709
CID 89188038
CID 89188038
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994

Frequently Asked Questions

What is the IUPAC name of [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid?
The IUPAC name of [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid (CID 23160232) is [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid.
What is the SMILES notation for [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid?
The canonical SMILES for [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid is OB(O)c1ccc2c(-c3ccccc3-c3ccccc3)c3ccccc3c(-c3ccccc3-c3ccccc3)c2c1.
What is the InChIKey of [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid?
The InChIKey is ODKJOLIUFCCNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27BO2/c40-39(41)28-23-24-35-36(25-28)38(32-20-10-8-18-30(32)27-15-5-2-6-16-27)34-22-12-11-21-33(34)37(35)31-19-9-7-17-29(31)26-13-3-1-4-14-26/h1-25,40-41H.
What are the key properties of [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid?
[9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid has a molecular weight of 526.44 g/mol, XLogP of 8.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid is sourced from PubChem (CID 23160232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).