[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid

C30H20BNO3 — CID 90125806

IUPAC[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
SMILESOB(O)c1cccc2c1oc1c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc12
InChIInChI=1S/C30H20BNO3/c33-31(34)26-12-6-11-25-24-10-5-9-21(29(24)35-30(25)26)19-15-17-20(18-16-19)32-27-13-3-1-7-22(27)23-8-2-4-14-28(23)32/h1-18,33-34H
InChIKeyDKCZQEIWULXPAF-UHFFFAOYSA-N
MW453.31 g/mol
LogP6.03
Rot. Bonds3

About [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid

[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid (PubChem CID 90125806) has the molecular formula C30H20BNO3 and a molecular weight of 453.31 g/mol. Its IUPAC name is [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid.

Molecular Properties

Compound Name[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
PubChem CID90125806
Molecular FormulaC30H20BNO3
Molecular Weight453.31 g/mol
Exact Mass453.15
IUPAC Name[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
SMILESOB(O)c1cccc2c1oc1c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc12
InChIInChI=1S/C30H20BNO3/c33-31(34)26-12-6-11-25-24-10-5-9-21(29(24)35-30(25)26)19-15-17-20(18-16-19)32-27-13-3-1-7-22(27)23-8-2-4-14-28(23)32/h1-18,33-34H
InChIKeyDKCZQEIWULXPAF-UHFFFAOYSA-N
XLogP6.03
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.31
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(4-methylphenyl)-2-(6-phenyldibenzofuran-4-yl)carbazole
CID 118509061
9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole
CID 123396912
2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 157481484
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
CID 90125795
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197

Frequently Asked Questions

What is the IUPAC name of [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid?
The IUPAC name of [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid (CID 90125806) is [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid.
What is the SMILES notation for [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid?
The canonical SMILES for [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid is OB(O)c1cccc2c1oc1c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc12.
What is the InChIKey of [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid?
The InChIKey is DKCZQEIWULXPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BNO3/c33-31(34)26-12-6-11-25-24-10-5-9-21(29(24)35-30(25)26)19-15-17-20(18-16-19)32-27-13-3-1-7-22(27)23-8-2-4-14-28(23)32/h1-18,33-34H.
What are the key properties of [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid?
[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid has a molecular weight of 453.31 g/mol, XLogP of 6.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid is sourced from PubChem (CID 90125806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).