CID 174266644

C23H26BS — CID 174266644

IUPAC—
SMILESCC(C)(C)C(C)(C)C[B]c1ccc2c(c1)Cc1cc3sccc3cc1-2
InChIInChI=1S/C23H26BS/c1-22(2,3)23(4,5)14-24-18-6-7-19-16(11-18)10-17-13-21-15(8-9-25-21)12-20(17)19/h6-9,11-13H,10,14H2,1-5H3
InChIKeyMNBKRSNHMHFROV-UHFFFAOYSA-N
MW345.34 g/mol
LogP6.29
Rot. Bonds3

About CID 174266644

CID 174266644 (PubChem CID 174266644) has the molecular formula C23H26BS and a molecular weight of 345.34 g/mol.

Molecular Properties

Compound NameCID 174266644
PubChem CID174266644
Molecular FormulaC23H26BS
Molecular Weight345.34 g/mol
Exact Mass345.18
IUPAC Name—
SMILESCC(C)(C)C(C)(C)C[B]c1ccc2c(c1)Cc1cc3sccc3cc1-2
InChIInChI=1S/C23H26BS/c1-22(2,3)23(4,5)14-24-18-6-7-19-16(11-18)10-17-13-21-15(8-9-25-21)12-20(17)19/h6-9,11-13H,10,14H2,1-5H3
InChIKeyMNBKRSNHMHFROV-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.34
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174266644 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

7,20-dithiaheptacyclo[14.10.0.03,14.04,12.06,10.017,25.019,23]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene;propane
CID 142370528
5,6-ditert-butyl-1-benzothiophene
CID 58774764
CID 146690194
CID 146690194
5-(2-methylbutan-2-yl)-1-benzothiophene
CID 137451067
ethane;9H-indeno[1,2-f][1]benzothiole;5-(2-nitrophenyl)-1-benzothiophene;10H-thieno[3,2-a]carbazole
CID 158065010
5-(2-methylpentan-2-yl)-1-benzothiophene
CID 134565390
2-methylthieno[3,2-f][1]benzofuran
CID 69041141
1-(1-benzothiophen-5-yl)-2-methylpropan-2-amine
CID 124505719
(5S)-5-[(5S)-6,7-dihydro-5H-cyclopenta[f][1]benzothiol-5-yl]-6,7-dihydro-5H-cyclopenta[f][1]benzothiole
CID 154713358
CID 174267142
CID 174267142
2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene
CID 59779545
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194

Frequently Asked Questions

What is the IUPAC name of CID 174266644?
The IUPAC name of CID 174266644 (CID 174266644) is not available.
What is the SMILES notation for CID 174266644?
The canonical SMILES for CID 174266644 is CC(C)(C)C(C)(C)C[B]c1ccc2c(c1)Cc1cc3sccc3cc1-2.
What is the InChIKey of CID 174266644?
The InChIKey is MNBKRSNHMHFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BS/c1-22(2,3)23(4,5)14-24-18-6-7-19-16(11-18)10-17-13-21-15(8-9-25-21)12-20(17)19/h6-9,11-13H,10,14H2,1-5H3.
What are the key properties of CID 174266644?
CID 174266644 has a molecular weight of 345.34 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174266644 is sourced from PubChem (CID 174266644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).