CID 21360032

C26H21BF — CID 21360032

IUPAC—
SMILESC[B]c1ccc(C#Cc2cc(C)c(C#Cc3ccc(C)cc3)cc2C)cc1F
InChIInChI=1S/C26H21BF/c1-18-5-7-21(8-6-18)9-12-23-15-20(3)24(16-19(23)2)13-10-22-11-14-25(27-4)26(28)17-22/h5-8,11,14-17H,1-4H3
InChIKeyWFHQZWBVEGJIRK-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.93
Rot. Bonds1

About CID 21360032

CID 21360032 (PubChem CID 21360032) has the molecular formula C26H21BF and a molecular weight of 363.26 g/mol.

Molecular Properties

Compound NameCID 21360032
PubChem CID21360032
Molecular FormulaC26H21BF
Molecular Weight363.26 g/mol
Exact Mass363.17
IUPAC Name—
SMILESC[B]c1ccc(C#Cc2cc(C)c(C#Cc3ccc(C)cc3)cc2C)cc1F
InChIInChI=1S/C26H21BF/c1-18-5-7-21(8-6-18)9-12-23-15-20(3)24(16-19(23)2)13-10-22-11-14-25(27-4)26(28)17-22/h5-8,11,14-17H,1-4H3
InChIKeyWFHQZWBVEGJIRK-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21360032?
The IUPAC name of CID 21360032 (CID 21360032) is not available.
What is the SMILES notation for CID 21360032?
The canonical SMILES for CID 21360032 is C[B]c1ccc(C#Cc2cc(C)c(C#Cc3ccc(C)cc3)cc2C)cc1F.
What is the InChIKey of CID 21360032?
The InChIKey is WFHQZWBVEGJIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BF/c1-18-5-7-21(8-6-18)9-12-23-15-20(3)24(16-19(23)2)13-10-22-11-14-25(27-4)26(28)17-22/h5-8,11,14-17H,1-4H3.
What are the key properties of CID 21360032?
CID 21360032 has a molecular weight of 363.26 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21360032 is sourced from PubChem (CID 21360032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).