CID 155609464

C24H16BO2S — CID 155609464

IUPAC—
SMILESO[B]Oc1cccc2c1sc1ccc(-c3ccccc3-c3ccccc3)cc12
InChIInChI=1S/C24H16BO2S/c26-25-27-22-12-6-11-20-21-15-17(13-14-23(21)28-24(20)22)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h1-15,26H
InChIKeyDYOLXHDNDOJNEA-UHFFFAOYSA-N
MW379.27 g/mol
LogP6.29
Rot. Bonds4

About CID 155609464

CID 155609464 (PubChem CID 155609464) has the molecular formula C24H16BO2S and a molecular weight of 379.27 g/mol.

Molecular Properties

Compound NameCID 155609464
PubChem CID155609464
Molecular FormulaC24H16BO2S
Molecular Weight379.27 g/mol
Exact Mass379.10
IUPAC Name—
SMILESO[B]Oc1cccc2c1sc1ccc(-c3ccccc3-c3ccccc3)cc12
InChIInChI=1S/C24H16BO2S/c26-25-27-22-12-6-11-20-21-15-17(13-14-23(21)28-24(20)22)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h1-15,26H
InChIKeyDYOLXHDNDOJNEA-UHFFFAOYSA-N
XLogP6.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.27
LogP ≤ 56.29
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

2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
CID 155609404
CID 155609404
2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
CID 134203852
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120
CID 160539754
CID 160539754
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763

Frequently Asked Questions

What is the IUPAC name of CID 155609464?
The IUPAC name of CID 155609464 (CID 155609464) is not available.
What is the SMILES notation for CID 155609464?
The canonical SMILES for CID 155609464 is O[B]Oc1cccc2c1sc1ccc(-c3ccccc3-c3ccccc3)cc12.
What is the InChIKey of CID 155609464?
The InChIKey is DYOLXHDNDOJNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BO2S/c26-25-27-22-12-6-11-20-21-15-17(13-14-23(21)28-24(20)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 155609464?
CID 155609464 has a molecular weight of 379.27 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155609464 is sourced from PubChem (CID 155609464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).