CID 70969362

C12H8BOS — CID 70969362

IUPAC—
SMILESO[B]c1cccc2c1sc1ccccc12
InChIInChI=1S/C12H8BOS/c14-13-10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-7,14H
InChIKeyJDNPPLVIXKLKPZ-UHFFFAOYSA-N
MW211.07 g/mol
LogP2.29
Rot. Bonds1

About CID 70969362

CID 70969362 (PubChem CID 70969362) has the molecular formula C12H8BOS and a molecular weight of 211.07 g/mol.

Molecular Properties

Compound NameCID 70969362
PubChem CID70969362
Molecular FormulaC12H8BOS
Molecular Weight211.07 g/mol
Exact Mass211.04
IUPAC Name—
SMILESO[B]c1cccc2c1sc1ccccc12
InChIInChI=1S/C12H8BOS/c14-13-10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-7,14H
InChIKeyJDNPPLVIXKLKPZ-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
di(dibenzothiophen-4-yl)borinic acid
CID 73387203
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620

Frequently Asked Questions

What is the IUPAC name of CID 70969362?
The IUPAC name of CID 70969362 (CID 70969362) is not available.
What is the SMILES notation for CID 70969362?
The canonical SMILES for CID 70969362 is O[B]c1cccc2c1sc1ccccc12.
What is the InChIKey of CID 70969362?
The InChIKey is JDNPPLVIXKLKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BOS/c14-13-10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-7,14H.
What are the key properties of CID 70969362?
CID 70969362 has a molecular weight of 211.07 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70969362 is sourced from PubChem (CID 70969362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).