CID 174102994

C24H15BO — CID 174102994

IUPAC—
SMILES[B]c1cc(-c2ccccc2)cc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C24H15BO/c25-20-13-18(16-6-2-1-3-7-16)12-19(14-20)17-10-11-22-21-8-4-5-9-23(21)26-24(22)15-17/h1-15H
InChIKeyMIWUYEQYFLALKG-UHFFFAOYSA-N
MW330.19 g/mol
LogP5.71
Rot. Bonds2

About CID 174102994

CID 174102994 (PubChem CID 174102994) has the molecular formula C24H15BO and a molecular weight of 330.19 g/mol.

Molecular Properties

Compound NameCID 174102994
PubChem CID174102994
Molecular FormulaC24H15BO
Molecular Weight330.19 g/mol
Exact Mass330.12
IUPAC Name—
SMILES[B]c1cc(-c2ccccc2)cc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C24H15BO/c25-20-13-18(16-6-2-1-3-7-16)12-19(14-20)17-10-11-22-21-8-4-5-9-23(21)26-24(22)15-17/h1-15H
InChIKeyMIWUYEQYFLALKG-UHFFFAOYSA-N
XLogP5.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.19
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
CID 121242345
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122

Frequently Asked Questions

What is the IUPAC name of CID 174102994?
The IUPAC name of CID 174102994 (CID 174102994) is not available.
What is the SMILES notation for CID 174102994?
The canonical SMILES for CID 174102994 is [B]c1cc(-c2ccccc2)cc(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of CID 174102994?
The InChIKey is MIWUYEQYFLALKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BO/c25-20-13-18(16-6-2-1-3-7-16)12-19(14-20)17-10-11-22-21-8-4-5-9-23(21)26-24(22)15-17/h1-15H.
What are the key properties of CID 174102994?
CID 174102994 has a molecular weight of 330.19 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174102994 is sourced from PubChem (CID 174102994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).