[6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid

C30H20BNO3S — CID 123987348

IUPAC[6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid
SMILESOB(O)c1cccc2c1oc1c(N3c4ccccc4Sc4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/C30H20BNO3S/c33-31(34)23-12-6-10-21-22-11-7-14-26(30(22)35-29(21)23)32-24-13-4-5-15-27(24)36-28-18-20(16-17-25(28)32)19-8-2-1-3-9-19/h1-18,33-34H
InChIKeyDJILZUKONPYJRH-UHFFFAOYSA-N
MW485.37 g/mol
LogP6.87
Rot. Bonds3

About [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid

[6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid (PubChem CID 123987348) has the molecular formula C30H20BNO3S and a molecular weight of 485.37 g/mol. Its IUPAC name is [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid.

Molecular Properties

Compound Name[6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid
PubChem CID123987348
Molecular FormulaC30H20BNO3S
Molecular Weight485.37 g/mol
Exact Mass485.13
IUPAC Name[6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid
SMILESOB(O)c1cccc2c1oc1c(N3c4ccccc4Sc4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/C30H20BNO3S/c33-31(34)23-12-6-10-21-22-11-7-14-26(30(22)35-29(21)23)32-24-13-4-5-15-27(24)36-28-18-20(16-17-25(28)32)19-8-2-1-3-9-19/h1-18,33-34H
InChIKeyDJILZUKONPYJRH-UHFFFAOYSA-N
XLogP6.87
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-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

10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
CID 134475813
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134475897
4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline
CID 134476211
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine
CID 134475783
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3-methyl-7-phenylphenothiazine;10-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine
CID 160914738
3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
CID 71004008
3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
CID 71003998
10-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenothiazine
CID 149398395
3,7-bis(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methyl-7-(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3,7-bis(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3-(4-phenothiazin-10-ylphenyl)phenothiazine
CID 159482320

Frequently Asked Questions

What is the IUPAC name of [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid?
The IUPAC name of [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid (CID 123987348) is [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid.
What is the SMILES notation for [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid?
The canonical SMILES for [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid is OB(O)c1cccc2c1oc1c(N3c4ccccc4Sc4cc(-c5ccccc5)ccc43)cccc12.
What is the InChIKey of [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid?
The InChIKey is DJILZUKONPYJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BNO3S/c33-31(34)23-12-6-10-21-22-11-7-14-26(30(22)35-29(21)23)32-24-13-4-5-15-27(24)36-28-18-20(16-17-25(28)32)19-8-2-1-3-9-19/h1-18,33-34H.
What are the key properties of [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid?
[6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid has a molecular weight of 485.37 g/mol, XLogP of 6.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-phenylphenothiazin-10-yl)dibenzofuran-4-yl]boronic acid is sourced from PubChem (CID 123987348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).