CID 20746399

C18H13B — CID 20746399

IUPAC—
SMILES[B]c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C18H13B/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H
InChIKeySIGJRRAMZLFPNR-UHFFFAOYSA-N
MW240.11 g/mol
LogP3.81
Rot. Bonds2

About CID 20746399

CID 20746399 (PubChem CID 20746399) has the molecular formula C18H13B and a molecular weight of 240.11 g/mol.

Molecular Properties

Compound NameCID 20746399
PubChem CID20746399
Molecular FormulaC18H13B
Molecular Weight240.11 g/mol
Exact Mass240.11
IUPAC Name—
SMILES[B]c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C18H13B/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H
InChIKeySIGJRRAMZLFPNR-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 20746399 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

4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
CID 174102994
CID 174102994
CID 171583605
CID 171583605
benzene;tris(1,1'-biphenyl)
CID 162155747
CID 88970975
CID 88970975

Frequently Asked Questions

What is the IUPAC name of CID 20746399?
The IUPAC name of CID 20746399 (CID 20746399) is not available.
What is the SMILES notation for CID 20746399?
The canonical SMILES for CID 20746399 is [B]c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of CID 20746399?
The InChIKey is SIGJRRAMZLFPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13B/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H.
What are the key properties of CID 20746399?
CID 20746399 has a molecular weight of 240.11 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20746399 is sourced from PubChem (CID 20746399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).