[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid

C30H20BNO3 — CID 70661114

IUPAC[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid
SMILESOB(O)c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C30H20BNO3/c33-31(34)21-12-15-30-26(18-21)25-17-20(11-14-29(25)35-30)19-10-13-28-24(16-19)23-8-4-5-9-27(23)32(28)22-6-2-1-3-7-22/h1-18,33-34H
InChIKeyQORNBMXGVORKMA-UHFFFAOYSA-N
MW453.31 g/mol
LogP6.03
Rot. Bonds3

About [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid

[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid (PubChem CID 70661114) has the molecular formula C30H20BNO3 and a molecular weight of 453.31 g/mol. Its IUPAC name is [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid.

Molecular Properties

Compound Name[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid
PubChem CID70661114
Molecular FormulaC30H20BNO3
Molecular Weight453.31 g/mol
Exact Mass453.15
IUPAC Name[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid
SMILESOB(O)c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C30H20BNO3/c33-31(34)21-12-15-30-26(18-21)25-17-20(11-14-29(25)35-30)19-10-13-28-24(16-19)23-8-4-5-9-27(23)32(28)22-6-2-1-3-7-22/h1-18,33-34H
InChIKeyQORNBMXGVORKMA-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-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
CID 89433899
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
(6,9-diphenylcarbazol-2-yl)boronic acid
CID 86770794
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016

Frequently Asked Questions

What is the IUPAC name of [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid?
The IUPAC name of [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid (CID 70661114) is [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid.
What is the SMILES notation for [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid?
The canonical SMILES for [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid is OB(O)c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.
What is the InChIKey of [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid?
The InChIKey is QORNBMXGVORKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BNO3/c33-31(34)21-12-15-30-26(18-21)25-17-20(11-14-29(25)35-30)19-10-13-28-24(16-19)23-8-4-5-9-27(23)32(28)22-6-2-1-3-7-22/h1-18,33-34H.
What are the key properties of [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid?
[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-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 [8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid is sourced from PubChem (CID 70661114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).