(5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid

C34H25BO2 — CID 156787902

IUPAC(5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C34H25BO2/c36-35(37)28-21-22-29-30(23-28)32(25-15-7-2-8-16-25)34(27-19-11-4-12-20-27)33(26-17-9-3-10-18-26)31(29)24-13-5-1-6-14-24/h1-23,36-37H
InChIKeyHHNKBVGWNKYTMS-UHFFFAOYSA-N
MW476.38 g/mol
LogP7.19
Rot. Bonds5

About (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid

(5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid (PubChem CID 156787902) has the molecular formula C34H25BO2 and a molecular weight of 476.38 g/mol. Its IUPAC name is (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid
PubChem CID156787902
Molecular FormulaC34H25BO2
Molecular Weight476.38 g/mol
Exact Mass476.19
IUPAC Name(5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C34H25BO2/c36-35(37)28-21-22-29-30(23-28)32(25-15-7-2-8-16-25)34(27-19-11-4-12-20-27)33(26-17-9-3-10-18-26)31(29)24-13-5-1-6-14-24/h1-23,36-37H
InChIKeyHHNKBVGWNKYTMS-UHFFFAOYSA-N
XLogP7.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[9,10-bis(2-phenylphenyl)anthracen-2-yl]boronic acid
CID 23160232
(5,6-diphenylnaphthalen-2-yl)boronic acid
CID 150248709
(9,10-dithiophen-2-ylanthracen-2-yl)boronic acid
CID 175540732
(7-phenyldibenzothiophen-2-yl)boronic acid
CID 141436106
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
(9,10-dinaphthalen-2-yl-6,7-didehydroanthracen-2-yl)boronic acid;ethane
CID 143809006
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
(7-phenylnaphthalen-2-yl)boronic acid
CID 58461088
2-bromotriphenylene;triphenylen-2-ylboronic acid
CID 160518339
9-bromoanthracene;9-bromo-10-(4-phenylphenyl)anthracene;9-(4-phenylphenyl)anthracene;(4-phenylphenyl)boronic acid
CID 161175388

Frequently Asked Questions

What is the IUPAC name of (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid?
The IUPAC name of (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid (CID 156787902) is (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid.
What is the SMILES notation for (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid?
The canonical SMILES for (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid is OB(O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid?
The InChIKey is HHNKBVGWNKYTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25BO2/c36-35(37)28-21-22-29-30(23-28)32(25-15-7-2-8-16-25)34(27-19-11-4-12-20-27)33(26-17-9-3-10-18-26)31(29)24-13-5-1-6-14-24/h1-23,36-37H.
What are the key properties of (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid?
(5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid has a molecular weight of 476.38 g/mol, XLogP of 7.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid is sourced from PubChem (CID 156787902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).