CID 175082744

C18H13BNO2 — CID 175082744

IUPAC—
SMILESO[B]O.c1ccc2c(c1)c1ccccc1n2-c1ccc2cc1-2
InChIInChI=1S/C18H11N.BH2O2/c1-3-7-16-13(5-1)14-6-2-4-8-17(14)19(16)18-10-9-12-11-15(12)18;2-1-3/h1-11H;2-3H
InChIKeyLWNIZARTNFSKSW-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.27
Rot. Bonds1

About CID 175082744

CID 175082744 (PubChem CID 175082744) has the molecular formula C18H13BNO2 and a molecular weight of 286.12 g/mol.

Molecular Properties

Compound NameCID 175082744
PubChem CID175082744
Molecular FormulaC18H13BNO2
Molecular Weight286.12 g/mol
Exact Mass286.10
IUPAC Name—
SMILESO[B]O.c1ccc2c(c1)c1ccccc1n2-c1ccc2cc1-2
InChIInChI=1S/C18H11N.BH2O2/c1-3-7-16-13(5-1)14-6-2-4-8-17(14)19(16)18-10-9-12-11-15(12)18;2-1-3/h1-11H;2-3H
InChIKeyLWNIZARTNFSKSW-UHFFFAOYSA-N
XLogP3.27
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 175082744 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-[4-carbazol-9-yl-2-(4-methylphenyl)phenyl]carbazole
CID 59742176
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[4-carbazol-9-yl-2-[4-(4-methylphenyl)phenyl]phenyl]carbazole
CID 59742203
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447
8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 139565903
8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine
CID 126596844
9-[2-(4-chloro-3-phenylphenyl)phenyl]carbazole
CID 167454754
2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
CID 135252120
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452

Frequently Asked Questions

What is the IUPAC name of CID 175082744?
The IUPAC name of CID 175082744 (CID 175082744) is not available.
What is the SMILES notation for CID 175082744?
The canonical SMILES for CID 175082744 is O[B]O.c1ccc2c(c1)c1ccccc1n2-c1ccc2cc1-2.
What is the InChIKey of CID 175082744?
The InChIKey is LWNIZARTNFSKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N.BH2O2/c1-3-7-16-13(5-1)14-6-2-4-8-17(14)19(16)18-10-9-12-11-15(12)18;2-1-3/h1-11H;2-3H.
What are the key properties of CID 175082744?
CID 175082744 has a molecular weight of 286.12 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175082744 is sourced from PubChem (CID 175082744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).