(4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid

C30H21BO3 — CID 177108214

IUPAC(4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid
SMILESOB(O)c1cc(-c2ccccc2)c(-c2ccc3c(c2)oc2ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C30H21BO3/c32-31(33)23-18-26(20-9-3-1-4-10-20)30(27(19-23)21-11-5-2-6-12-21)22-15-16-25-24-13-7-8-14-28(24)34-29(25)17-22/h1-19,32-33H
InChIKeyVLGFVVBQUJJYEE-UHFFFAOYSA-N
MW440.31 g/mol
LogP6.27
Rot. Bonds4

About (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid

(4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid (PubChem CID 177108214) has the molecular formula C30H21BO3 and a molecular weight of 440.31 g/mol. Its IUPAC name is (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid.

Molecular Properties

Compound Name(4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid
PubChem CID177108214
Molecular FormulaC30H21BO3
Molecular Weight440.31 g/mol
Exact Mass440.16
IUPAC Name(4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid
SMILESOB(O)c1cc(-c2ccccc2)c(-c2ccc3c(c2)oc2ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C30H21BO3/c32-31(33)23-18-26(20-9-3-1-4-10-20)30(27(19-23)21-11-5-2-6-12-21)22-15-16-25-24-13-7-8-14-28(24)34-29(25)17-22/h1-19,32-33H
InChIKeyVLGFVVBQUJJYEE-UHFFFAOYSA-N
XLogP6.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.31
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline
CID 121341024
(7-dibenzofuran-2-yldibenzofuran-3-yl)boronic acid
CID 168908513
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 138691594
3-(2-chloro-6-phenylphenyl)dibenzofuran
CID 170666298
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691606
2,3-diphenyldibenzofuran
CID 12699263
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
CID 158475904
CID 158475904
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052

Frequently Asked Questions

What is the IUPAC name of (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid?
The IUPAC name of (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid (CID 177108214) is (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid.
What is the SMILES notation for (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid?
The canonical SMILES for (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid is OB(O)c1cc(-c2ccccc2)c(-c2ccc3c(c2)oc2ccccc23)c(-c2ccccc2)c1.
What is the InChIKey of (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid?
The InChIKey is VLGFVVBQUJJYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21BO3/c32-31(33)23-18-26(20-9-3-1-4-10-20)30(27(19-23)21-11-5-2-6-12-21)22-15-16-25-24-13-7-8-14-28(24)34-29(25)17-22/h1-19,32-33H.
What are the key properties of (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid?
(4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid has a molecular weight of 440.31 g/mol, XLogP of 6.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzofuran-3-yl-3,5-diphenylphenyl)boronic acid is sourced from PubChem (CID 177108214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).