CID 156721418

C24H15BF2 — CID 156721418

IUPAC—
SMILES[B]c1ccc(-c2ccc(-c3ccc(-c4ccccc4F)cc3)c(F)c2)cc1
InChIInChI=1S/C24H15BF2/c25-20-12-9-16(10-13-20)19-11-14-22(24(27)15-19)18-7-5-17(6-8-18)21-3-1-2-4-23(21)26/h1-15H
InChIKeyCFOOASYSNFYAOJ-UHFFFAOYSA-N
MW352.19 g/mol
LogP5.76
Rot. Bonds3

About CID 156721418

CID 156721418 (PubChem CID 156721418) has the molecular formula C24H15BF2 and a molecular weight of 352.19 g/mol.

Molecular Properties

Compound NameCID 156721418
PubChem CID156721418
Molecular FormulaC24H15BF2
Molecular Weight352.19 g/mol
Exact Mass352.12
IUPAC Name—
SMILES[B]c1ccc(-c2ccc(-c3ccc(-c4ccccc4F)cc3)c(F)c2)cc1
InChIInChI=1S/C24H15BF2/c25-20-12-9-16(10-13-20)19-11-14-22(24(27)15-19)18-7-5-17(6-8-18)21-3-1-2-4-23(21)26/h1-15H
InChIKeyCFOOASYSNFYAOJ-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.19
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 2723955
p-Quaterphenyl
CID 8677
Quaterphenyl
CID 14422
Tetraphenylethylene
CID 69437
4-Trifluoromethylbiphenyl
CID 9877863
6-Fluorochrysene
CID 255029
1,3,5-Triphenylbenzene
CID 11930
o-Quaterphenyl
CID 12549
1,1,2,2-Tetraphenylethane
CID 136454
4,4'-Diphenylstilbene
CID 5379121

Frequently Asked Questions

What is the IUPAC name of CID 156721418?
The IUPAC name of CID 156721418 (CID 156721418) is not available.
What is the SMILES notation for CID 156721418?
The canonical SMILES for CID 156721418 is [B]c1ccc(-c2ccc(-c3ccc(-c4ccccc4F)cc3)c(F)c2)cc1.
What is the InChIKey of CID 156721418?
The InChIKey is CFOOASYSNFYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BF2/c25-20-12-9-16(10-13-20)19-11-14-22(24(27)15-19)18-7-5-17(6-8-18)21-3-1-2-4-23(21)26/h1-15H.
What are the key properties of CID 156721418?
CID 156721418 has a molecular weight of 352.19 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156721418 is sourced from PubChem (CID 156721418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).