[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid

C29H21BN2O2 — CID 140890322

IUPAC[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid
SMILESOB(O)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C29H21BN2O2/c33-30(34)23-15-16-28-25(19-23)24-13-7-8-14-27(24)32(28)29-18-22(20-9-3-1-4-10-20)17-26(31-29)21-11-5-2-6-12-21/h1-19,33-34H
InChIKeyNJOPMNXXQXEVJW-UHFFFAOYSA-N
MW440.31 g/mol
LogP5.19
Rot. Bonds4

About [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid

[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid (PubChem CID 140890322) has the molecular formula C29H21BN2O2 and a molecular weight of 440.31 g/mol. Its IUPAC name is [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid.

Molecular Properties

Compound Name[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid
PubChem CID140890322
Molecular FormulaC29H21BN2O2
Molecular Weight440.31 g/mol
Exact Mass440.17
IUPAC Name[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid
SMILESOB(O)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C29H21BN2O2/c33-30(34)23-15-16-28-25(19-23)24-13-7-8-14-27(24)32(28)29-18-22(20-9-3-1-4-10-20)17-26(31-29)21-11-5-2-6-12-21/h1-19,33-34H
InChIKeyNJOPMNXXQXEVJW-UHFFFAOYSA-N
XLogP5.19
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.31
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-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

[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]boronic acid
CID 140873197
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]boronic acid
CID 140790221
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
11-(4,6-diphenyl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330805
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
9-(2-methyl-6-phenylpyrimidin-4-yl)carbazole
CID 145299185
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 164983675
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768
9-(4,6-dipyridin-4-yl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144632040
9-[6-[6-[6-[6-carbazol-9-yl-4-(3-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(3-phenylphenyl)-2-pyridinyl]carbazole
CID 165167516
9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 139270302

Frequently Asked Questions

What is the IUPAC name of [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid?
The IUPAC name of [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid (CID 140890322) is [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid.
What is the SMILES notation for [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid?
The canonical SMILES for [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid is OB(O)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid?
The InChIKey is NJOPMNXXQXEVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21BN2O2/c33-30(34)23-15-16-28-25(19-23)24-13-7-8-14-27(24)32(28)29-18-22(20-9-3-1-4-10-20)17-26(31-29)21-11-5-2-6-12-21/h1-19,33-34H.
What are the key properties of [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid?
[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid has a molecular weight of 440.31 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]boronic acid is sourced from PubChem (CID 140890322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).