CID 171583605

C24H15BS — CID 171583605

IUPAC—
SMILES[B]c1cc(-c2ccccc2)cc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C24H15BS/c25-20-13-18(16-6-2-1-3-7-16)12-19(14-20)17-10-11-24-22(15-17)21-8-4-5-9-23(21)26-24/h1-15H
InChIKeyMGQOPDADQZKZOP-UHFFFAOYSA-N
MW346.26 g/mol
LogP6.18
Rot. Bonds2

About CID 171583605

CID 171583605 (PubChem CID 171583605) has the molecular formula C24H15BS and a molecular weight of 346.26 g/mol.

Molecular Properties

Compound NameCID 171583605
PubChem CID171583605
Molecular FormulaC24H15BS
Molecular Weight346.26 g/mol
Exact Mass346.10
IUPAC Name—
SMILES[B]c1cc(-c2ccccc2)cc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C24H15BS/c25-20-13-18(16-6-2-1-3-7-16)12-19(14-20)17-10-11-24-22(15-17)21-8-4-5-9-23(21)26-24/h1-15H
InChIKeyMGQOPDADQZKZOP-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 171583605 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

2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 161440420
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 161455917
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583426

Frequently Asked Questions

What is the IUPAC name of CID 171583605?
The IUPAC name of CID 171583605 (CID 171583605) is not available.
What is the SMILES notation for CID 171583605?
The canonical SMILES for CID 171583605 is [B]c1cc(-c2ccccc2)cc(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of CID 171583605?
The InChIKey is MGQOPDADQZKZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BS/c25-20-13-18(16-6-2-1-3-7-16)12-19(14-20)17-10-11-24-22(15-17)21-8-4-5-9-23(21)26-24/h1-15H.
What are the key properties of CID 171583605?
CID 171583605 has a molecular weight of 346.26 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171583605 is sourced from PubChem (CID 171583605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).