CID 21360055

C26H20BF2 — CID 21360055

IUPAC—
SMILESC[B]c1cc(C)c(C#Cc2cc(F)c(C#Cc3ccc(C)cc3)c(F)c2)cc1C
InChIInChI=1S/C26H20BF2/c1-17-5-7-20(8-6-17)10-12-23-25(28)15-21(16-26(23)29)9-11-22-13-19(3)24(27-4)14-18(22)2/h5-8,13-16H,1-4H3
InChIKeyHKCLFYNUUYZGOR-UHFFFAOYSA-N
MW381.25 g/mol
LogP5.07
Rot. Bonds1

About CID 21360055

CID 21360055 (PubChem CID 21360055) has the molecular formula C26H20BF2 and a molecular weight of 381.25 g/mol.

Molecular Properties

Compound NameCID 21360055
PubChem CID21360055
Molecular FormulaC26H20BF2
Molecular Weight381.25 g/mol
Exact Mass381.16
IUPAC Name—
SMILESC[B]c1cc(C)c(C#Cc2cc(F)c(C#Cc3ccc(C)cc3)c(F)c2)cc1C
InChIInChI=1S/C26H20BF2/c1-17-5-7-20(8-6-17)10-12-23-25(28)15-21(16-26(23)29)9-11-22-13-19(3)24(27-4)14-18(22)2/h5-8,13-16H,1-4H3
InChIKeyHKCLFYNUUYZGOR-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.25
LogP ≤ 55.07
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'}

Analyze CID 21360055 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

CID 21360032
CID 21360032
1-[2-(3,5-difluoro-4-methylphenyl)ethynyl]-2,5-dimethyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 21359640
CID 21360020
CID 21360020
CID 21359979
CID 21359979
CID 21359958
CID 21359958
1,3-difluoro-5-methyl-2-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-1-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 91320701
1-[2-(2-fluoro-4-methylphenyl)ethynyl]-2,5-dimethyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 21359625
5-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene
CID 21360172
2-[2-[2,6-difluoro-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-6-fluoronaphthalene
CID 139858937
1,3-difluoro-5-(2-isothiocyanatoethynyl)-2-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene
CID 168948683
5-[2-(3-fluoro-4-methylphenyl)ethynyl]-1,3-dimethoxy-2-[2-(4-methylphenyl)ethynyl]benzene
CID 21360204
1,3-difluoro-2-(2-isothiocyanatoethynyl)-5-[2-[4-(4-methylphenyl)phenyl]ethynyl]benzene
CID 168948701

Frequently Asked Questions

What is the IUPAC name of CID 21360055?
The IUPAC name of CID 21360055 (CID 21360055) is not available.
What is the SMILES notation for CID 21360055?
The canonical SMILES for CID 21360055 is C[B]c1cc(C)c(C#Cc2cc(F)c(C#Cc3ccc(C)cc3)c(F)c2)cc1C.
What is the InChIKey of CID 21360055?
The InChIKey is HKCLFYNUUYZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BF2/c1-17-5-7-20(8-6-17)10-12-23-25(28)15-21(16-26(23)29)9-11-22-13-19(3)24(27-4)14-18(22)2/h5-8,13-16H,1-4H3.
What are the key properties of CID 21360055?
CID 21360055 has a molecular weight of 381.25 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21360055 is sourced from PubChem (CID 21360055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).