CID 155609404

C24H16BO3 — CID 155609404

IUPAC—
SMILESO[B]Oc1cccc2c1oc1cc(-c3ccccc3-c3ccccc3)ccc12
InChIInChI=1S/C24H16BO3/c26-25-28-22-12-6-11-21-20-14-13-17(15-23(20)27-24(21)22)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h1-15,26H
InChIKeyTWBWTODORARAIB-UHFFFAOYSA-N
MW363.20 g/mol
LogP5.83
Rot. Bonds4

About CID 155609404

CID 155609404 (PubChem CID 155609404) has the molecular formula C24H16BO3 and a molecular weight of 363.20 g/mol.

Molecular Properties

Compound NameCID 155609404
PubChem CID155609404
Molecular FormulaC24H16BO3
Molecular Weight363.20 g/mol
Exact Mass363.12
IUPAC Name—
SMILESO[B]Oc1cccc2c1oc1cc(-c3ccccc3-c3ccccc3)ccc12
InChIInChI=1S/C24H16BO3/c26-25-28-22-12-6-11-21-20-14-13-17(15-23(20)27-24(21)22)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h1-15,26H
InChIKeyTWBWTODORARAIB-UHFFFAOYSA-N
XLogP5.83
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.20
LogP ≤ 55.83
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 155609445
CID 155609445
CID 161148817
CID 161148817
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
CID 176846437
CID 155609464
CID 155609464
CID 160512264
CID 160512264
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2,4-diphenyl-6-[7-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570

Frequently Asked Questions

What is the IUPAC name of CID 155609404?
The IUPAC name of CID 155609404 (CID 155609404) is not available.
What is the SMILES notation for CID 155609404?
The canonical SMILES for CID 155609404 is O[B]Oc1cccc2c1oc1cc(-c3ccccc3-c3ccccc3)ccc12.
What is the InChIKey of CID 155609404?
The InChIKey is TWBWTODORARAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BO3/c26-25-28-22-12-6-11-21-20-14-13-17(15-23(20)27-24(21)22)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h1-15,26H.
What are the key properties of CID 155609404?
CID 155609404 has a molecular weight of 363.20 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155609404 is sourced from PubChem (CID 155609404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).