CID 71229617

C22H17BN — CID 71229617

IUPAC—
SMILESC[B]c1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H17BN/c1-23-18-13-11-17(12-14-18)22-15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)24-22/h2-15H,1H3
InChIKeyHFEQKDDMCWCINT-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.95
Rot. Bonds3

About CID 71229617

CID 71229617 (PubChem CID 71229617) has the molecular formula C22H17BN and a molecular weight of 306.20 g/mol.

Molecular Properties

Compound NameCID 71229617
PubChem CID71229617
Molecular FormulaC22H17BN
Molecular Weight306.20 g/mol
Exact Mass306.15
IUPAC Name—
SMILESC[B]c1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H17BN/c1-23-18-13-11-17(12-14-18)22-15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)24-22/h2-15H,1H3
InChIKeyHFEQKDDMCWCINT-UHFFFAOYSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 71229617 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

4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
CID 126579083
2,4-diphenylquinolin-7-ol
CID 137317331
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
7-methyl-2,4-diphenylquinoline
CID 13048584
2-phenyl-4-pyridin-3-ylquinoline
CID 175326570
9-[4-[2-(4-carbazol-9-ylphenyl)quinolin-4-yl]phenyl]carbazole
CID 90272257
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
2-(4-cyclopropyloxyphenyl)-4-phenylquinoline
CID 135018396

Frequently Asked Questions

What is the IUPAC name of CID 71229617?
The IUPAC name of CID 71229617 (CID 71229617) is not available.
What is the SMILES notation for CID 71229617?
The canonical SMILES for CID 71229617 is C[B]c1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of CID 71229617?
The InChIKey is HFEQKDDMCWCINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BN/c1-23-18-13-11-17(12-14-18)22-15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)24-22/h2-15H,1H3.
What are the key properties of CID 71229617?
CID 71229617 has a molecular weight of 306.20 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71229617 is sourced from PubChem (CID 71229617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).