CID 155609445

C24H16BO3 — CID 155609445

IUPAC—
SMILESO[B]Oc1cccc2c1oc1c(-c3ccc(-c4ccccc4)cc3)cccc12
InChIInChI=1S/C24H16BO3/c26-25-28-22-11-5-10-21-20-9-4-8-19(23(20)27-24(21)22)18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-15,26H
InChIKeyLHPINKBKVZEKKC-UHFFFAOYSA-N
MW363.20 g/mol
LogP5.83
Rot. Bonds4

About CID 155609445

CID 155609445 (PubChem CID 155609445) has the molecular formula C24H16BO3 and a molecular weight of 363.20 g/mol.

Molecular Properties

Compound NameCID 155609445
PubChem CID155609445
Molecular FormulaC24H16BO3
Molecular Weight363.20 g/mol
Exact Mass363.12
IUPAC Name—
SMILESO[B]Oc1cccc2c1oc1c(-c3ccc(-c4ccccc4)cc3)cccc12
InChIInChI=1S/C24H16BO3/c26-25-28-22-11-5-10-21-20-9-4-8-19(23(20)27-24(21)22)18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-15,26H
InChIKeyLHPINKBKVZEKKC-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

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CID 155609404
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4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
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2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
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CID 158142672
CID 158142672
4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran
CID 67964041
N,4-diphenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]phenyl]aniline
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Frequently Asked Questions

What is the IUPAC name of CID 155609445?
The IUPAC name of CID 155609445 (CID 155609445) is not available.
What is the SMILES notation for CID 155609445?
The canonical SMILES for CID 155609445 is O[B]Oc1cccc2c1oc1c(-c3ccc(-c4ccccc4)cc3)cccc12.
What is the InChIKey of CID 155609445?
The InChIKey is LHPINKBKVZEKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BO3/c26-25-28-22-11-5-10-21-20-9-4-8-19(23(20)27-24(21)22)18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-15,26H.
What are the key properties of CID 155609445?
CID 155609445 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 155609445 is sourced from PubChem (CID 155609445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).