CID 160726204

C23H17BNO2 — CID 160726204

IUPAC—
SMILESO[B]Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H17BNO2/c26-24-27-21-13-7-12-19(14-21)23-16-20(17-8-3-1-4-9-17)15-22(25-23)18-10-5-2-6-11-18/h1-16,26H
InChIKeyQWOXMQVBCUFMEC-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.99
Rot. Bonds5

About CID 160726204

CID 160726204 (PubChem CID 160726204) has the molecular formula C23H17BNO2 and a molecular weight of 350.21 g/mol.

Molecular Properties

Compound NameCID 160726204
PubChem CID160726204
Molecular FormulaC23H17BNO2
Molecular Weight350.21 g/mol
Exact Mass350.14
IUPAC Name—
SMILESO[B]Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H17BNO2/c26-24-27-21-13-7-12-19(14-21)23-16-20(17-8-3-1-4-9-17)15-22(25-23)18-10-5-2-6-11-18/h1-16,26H
InChIKeyQWOXMQVBCUFMEC-UHFFFAOYSA-N
XLogP4.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 123390746
CID 123390746
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
CID 158785792
CID 158785792
4-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenoxy]phenoxy]phenyl]-2,6-diphenylpyridine
CID 58692915
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712

Frequently Asked Questions

What is the IUPAC name of CID 160726204?
The IUPAC name of CID 160726204 (CID 160726204) is not available.
What is the SMILES notation for CID 160726204?
The canonical SMILES for CID 160726204 is O[B]Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of CID 160726204?
The InChIKey is QWOXMQVBCUFMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BNO2/c26-24-27-21-13-7-12-19(14-21)23-16-20(17-8-3-1-4-9-17)15-22(25-23)18-10-5-2-6-11-18/h1-16,26H.
What are the key properties of CID 160726204?
CID 160726204 has a molecular weight of 350.21 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160726204 is sourced from PubChem (CID 160726204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).