(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid

C24H16BNO3 — CID 171402621

IUPAC(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid
SMILESOB(O)c1ccc2c3ccc4c5ccccc5oc4c3n(-c3ccccc3)c2c1
InChIInChI=1S/C24H16BNO3/c27-25(28)15-10-11-17-19-12-13-20-18-8-4-5-9-22(18)29-24(20)23(19)26(21(17)14-15)16-6-2-1-3-7-16/h1-14,27-28H
InChIKeyCEYNUEIUABVIQV-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.36
Rot. Bonds2

About (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid

(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid (PubChem CID 171402621) has the molecular formula C24H16BNO3 and a molecular weight of 377.21 g/mol. Its IUPAC name is (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid.

Molecular Properties

Compound Name(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid
PubChem CID171402621
Molecular FormulaC24H16BNO3
Molecular Weight377.21 g/mol
Exact Mass377.12
IUPAC Name(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid
SMILESOB(O)c1ccc2c3ccc4c5ccccc5oc4c3n(-c3ccccc3)c2c1
InChIInChI=1S/C24H16BNO3/c27-25(28)15-10-11-17-19-12-13-20-18-8-4-5-9-22(18)29-24(20)23(19)26(21(17)14-15)16-6-2-1-3-7-16/h1-14,27-28H
InChIKeyCEYNUEIUABVIQV-UHFFFAOYSA-N
XLogP4.36
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenyl-λ4-sulfane
CID 134259891
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278
12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 166832183
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
CID 118502561
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-phenyl-2-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223483
15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174350700
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene
CID 129141922

Frequently Asked Questions

What is the IUPAC name of (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid?
The IUPAC name of (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid (CID 171402621) is (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid.
What is the SMILES notation for (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid?
The canonical SMILES for (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid is OB(O)c1ccc2c3ccc4c5ccccc5oc4c3n(-c3ccccc3)c2c1.
What is the InChIKey of (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid?
The InChIKey is CEYNUEIUABVIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BNO3/c27-25(28)15-10-11-17-19-12-13-20-18-8-4-5-9-22(18)29-24(20)23(19)26(21(17)14-15)16-6-2-1-3-7-16/h1-14,27-28H.
What are the key properties of (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid?
(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid has a molecular weight of 377.21 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid is sourced from PubChem (CID 171402621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).