CID 164583208

C13H8BNO — CID 164583208

IUPAC—
SMILES[B]c1cc2c(-c3ccncc3)cccc2o1
InChIInChI=1S/C13H8BNO/c14-13-8-11-10(2-1-3-12(11)16-13)9-4-6-15-7-5-9/h1-8H
InChIKeyWZAOAZQVHOSCLX-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.29
Rot. Bonds1

About CID 164583208

CID 164583208 (PubChem CID 164583208) has the molecular formula C13H8BNO and a molecular weight of 205.03 g/mol.

Molecular Properties

Compound NameCID 164583208
PubChem CID164583208
Molecular FormulaC13H8BNO
Molecular Weight205.03 g/mol
Exact Mass205.07
IUPAC Name—
SMILES[B]c1cc2c(-c3ccncc3)cccc2o1
InChIInChI=1S/C13H8BNO/c14-13-8-11-10(2-1-3-12(11)16-13)9-4-6-15-7-5-9/h1-8H
InChIKeyWZAOAZQVHOSCLX-UHFFFAOYSA-N
XLogP2.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.29
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

4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
4-(9-methyldibenzofuran-2-yl)pyridine
CID 146397344
4-pyridin-4-yl-8-[3-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336465
3-(2-phenyl-1-benzofuran-4-yl)pyridine
CID 132511455
2-dibenzofuran-4-yl-4-methyl-6-pyridin-4-yl-1,3,5-triazine
CID 155603381
4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412
6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole
CID 122547825
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130262615
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155079316
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983

Frequently Asked Questions

What is the IUPAC name of CID 164583208?
The IUPAC name of CID 164583208 (CID 164583208) is not available.
What is the SMILES notation for CID 164583208?
The canonical SMILES for CID 164583208 is [B]c1cc2c(-c3ccncc3)cccc2o1.
What is the InChIKey of CID 164583208?
The InChIKey is WZAOAZQVHOSCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BNO/c14-13-8-11-10(2-1-3-12(11)16-13)9-4-6-15-7-5-9/h1-8H.
What are the key properties of CID 164583208?
CID 164583208 has a molecular weight of 205.03 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164583208 is sourced from PubChem (CID 164583208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).