CID 149438986

C19H9BOS — CID 149438986

IUPAC—
SMILES[B]c1ccc2c(c1)C(=O)c1ccc3c(sc4ccccc43)c1-2
InChIInChI=1S/C19H9BOS/c20-10-5-6-12-15(9-10)18(21)14-8-7-13-11-3-1-2-4-16(11)22-19(13)17(12)14/h1-9H
InChIKeySSFXXQDVSYLBBF-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.06
Rot. Bonds

About CID 149438986

CID 149438986 (PubChem CID 149438986) has the molecular formula C19H9BOS and a molecular weight of 296.16 g/mol.

Molecular Properties

Compound NameCID 149438986
PubChem CID149438986
Molecular FormulaC19H9BOS
Molecular Weight296.16 g/mol
Exact Mass296.05
IUPAC Name—
SMILES[B]c1ccc2c(c1)C(=O)c1ccc3c(sc4ccccc43)c1-2
InChIInChI=1S/C19H9BOS/c20-10-5-6-12-15(9-10)18(21)14-8-7-13-11-3-1-2-4-16(11)22-19(13)17(12)14/h1-9H
InChIKeySSFXXQDVSYLBBF-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-(15-dibenzothiophen-4-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428975
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Frequently Asked Questions

What is the IUPAC name of CID 149438986?
The IUPAC name of CID 149438986 (CID 149438986) is not available.
What is the SMILES notation for CID 149438986?
The canonical SMILES for CID 149438986 is [B]c1ccc2c(c1)C(=O)c1ccc3c(sc4ccccc43)c1-2.
What is the InChIKey of CID 149438986?
The InChIKey is SSFXXQDVSYLBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9BOS/c20-10-5-6-12-15(9-10)18(21)14-8-7-13-11-3-1-2-4-16(11)22-19(13)17(12)14/h1-9H.
What are the key properties of CID 149438986?
CID 149438986 has a molecular weight of 296.16 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149438986 is sourced from PubChem (CID 149438986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).