CID 176588776

C17H11BNO — CID 176588776

IUPAC—
SMILES[B](c1ccccc1)c1cccc2oc3cccnc3c12
InChIInChI=1S/C17H11BNO/c1-2-6-12(7-3-1)18-13-8-4-9-14-16(13)17-15(20-14)10-5-11-19-17/h1-11H
InChIKeyLBCPMYDVAQCZIT-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.64
Rot. Bonds2

About CID 176588776

CID 176588776 (PubChem CID 176588776) has the molecular formula C17H11BNO and a molecular weight of 256.09 g/mol.

Molecular Properties

Compound NameCID 176588776
PubChem CID176588776
Molecular FormulaC17H11BNO
Molecular Weight256.09 g/mol
Exact Mass256.09
IUPAC Name—
SMILES[B](c1ccccc1)c1cccc2oc3cccnc3c12
InChIInChI=1S/C17H11BNO/c1-2-6-12(7-3-1)18-13-8-4-9-14-16(13)17-15(20-14)10-5-11-19-17/h1-11H
InChIKeyLBCPMYDVAQCZIT-UHFFFAOYSA-N
XLogP2.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.64
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

N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
CID 168737884
N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
CID 168738101
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-6-amine
CID 166861996
2-dibenzofuran-2-yl-8-[3-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]dibenzofuran;3-dibenzofuran-2-yl-5-(8-dibenzofuran-2-yldibenzofuran-2-yl)pyridine;8-[8-[3-(8-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-[1]benzofuro[3,2-b]pyridine;3-(8-phenyldibenzofuran-2-yl)-5-[8-(8-phenyldibenzofuran-2-yl)dibenzofuran-2-yl]pyridine
CID 159244725
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265787
CID 176588713
CID 176588713
8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122688012
8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265549
4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177041
CID 90291971
CID 90291971
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789

Frequently Asked Questions

What is the IUPAC name of CID 176588776?
The IUPAC name of CID 176588776 (CID 176588776) is not available.
What is the SMILES notation for CID 176588776?
The canonical SMILES for CID 176588776 is [B](c1ccccc1)c1cccc2oc3cccnc3c12.
What is the InChIKey of CID 176588776?
The InChIKey is LBCPMYDVAQCZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BNO/c1-2-6-12(7-3-1)18-13-8-4-9-14-16(13)17-15(20-14)10-5-11-19-17/h1-11H.
What are the key properties of CID 176588776?
CID 176588776 has a molecular weight of 256.09 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176588776 is sourced from PubChem (CID 176588776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).