(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid

C32H23BO2 — CID 177108224

IUPAC(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid
SMILESOB(O)c1c(-c2ccccc2)cc(-c2cccc3c2ccc2ccccc23)cc1-c1ccccc1
InChIInChI=1S/C32H23BO2/c34-33(35)32-30(22-10-3-1-4-11-22)20-25(21-31(32)23-12-5-2-6-13-23)27-16-9-17-28-26-15-8-7-14-24(26)18-19-29(27)28/h1-21,34-35H
InChIKeySTOKIBGQQSOZJF-UHFFFAOYSA-N
MW450.35 g/mol
LogP6.67
Rot. Bonds4

About (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid

(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid (PubChem CID 177108224) has the molecular formula C32H23BO2 and a molecular weight of 450.35 g/mol. Its IUPAC name is (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid.

Molecular Properties

Compound Name(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid
PubChem CID177108224
Molecular FormulaC32H23BO2
Molecular Weight450.35 g/mol
Exact Mass450.18
IUPAC Name(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid
SMILESOB(O)c1c(-c2ccccc2)cc(-c2cccc3c2ccc2ccccc23)cc1-c1ccccc1
InChIInChI=1S/C32H23BO2/c34-33(35)32-30(22-10-3-1-4-11-22)20-25(21-31(32)23-12-5-2-6-13-23)27-16-9-17-28-26-15-8-7-14-24(26)18-19-29(27)28/h1-21,34-35H
InChIKeySTOKIBGQQSOZJF-UHFFFAOYSA-N
XLogP6.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.35
LogP ≤ 56.67
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_3', 'substructure': 'N/A'}

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Related Compounds

1-phenylphenanthrene;pyrazine
CID 175377735
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene
CID 159785765
[4-(2-phenylphenyl)anthracen-9-yl]boronic acid
CID 141173656
11-phenylbenzo[a]anthracene
CID 123665695
1,3-diphenylphenanthrene
CID 13011098
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 164831815
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
(2-phenanthren-9-ylnaphthalen-1-yl)boronic acid
CID 87663788
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenanthren-1-yl-2,6-diphenylphenyl)anthracene
CID 177108233
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369

Frequently Asked Questions

What is the IUPAC name of (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid?
The IUPAC name of (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid (CID 177108224) is (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid.
What is the SMILES notation for (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid?
The canonical SMILES for (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid is OB(O)c1c(-c2ccccc2)cc(-c2cccc3c2ccc2ccccc23)cc1-c1ccccc1.
What is the InChIKey of (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid?
The InChIKey is STOKIBGQQSOZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23BO2/c34-33(35)32-30(22-10-3-1-4-11-22)20-25(21-31(32)23-12-5-2-6-13-23)27-16-9-17-28-26-15-8-7-14-24(26)18-19-29(27)28/h1-21,34-35H.
What are the key properties of (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid?
(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid has a molecular weight of 450.35 g/mol, XLogP of 6.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid is sourced from PubChem (CID 177108224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).