CID 164839359

C16H10BN2O3 — CID 164839359

IUPAC—
SMILESO[B]Oc1nc(-c2ccccc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C16H10BN2O3/c20-17-22-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)21-15(13)19-16/h1-9,20H
InChIKeyRQYJIYWKHSSWST-UHFFFAOYSA-N
MW289.08 g/mol
LogP2.95
Rot. Bonds3

About CID 164839359

CID 164839359 (PubChem CID 164839359) has the molecular formula C16H10BN2O3 and a molecular weight of 289.08 g/mol.

Molecular Properties

Compound NameCID 164839359
PubChem CID164839359
Molecular FormulaC16H10BN2O3
Molecular Weight289.08 g/mol
Exact Mass289.08
IUPAC Name—
SMILESO[B]Oc1nc(-c2ccccc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C16H10BN2O3/c20-17-22-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)21-15(13)19-16/h1-9,20H
InChIKeyRQYJIYWKHSSWST-UHFFFAOYSA-N
XLogP2.95
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898
2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 142487813
2-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628772
4-(4-phenylphenyl)-2-[3-[3-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489754
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 118229635
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628766
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489587
2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628767
4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122628828
2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489906
4-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628785

Frequently Asked Questions

What is the IUPAC name of CID 164839359?
The IUPAC name of CID 164839359 (CID 164839359) is not available.
What is the SMILES notation for CID 164839359?
The canonical SMILES for CID 164839359 is O[B]Oc1nc(-c2ccccc2)c2c(n1)oc1ccccc12.
What is the InChIKey of CID 164839359?
The InChIKey is RQYJIYWKHSSWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BN2O3/c20-17-22-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)21-15(13)19-16/h1-9,20H.
What are the key properties of CID 164839359?
CID 164839359 has a molecular weight of 289.08 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164839359 is sourced from PubChem (CID 164839359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).