(9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]

C19H14B2N2O3 — CID 139064687

IUPAC(9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]
SMILESOB1O[B@@-]2(Oc3ccccc3-c3cn4ccccc4[n+]32)c2ccccc21
InChIInChI=1S/C19H14B2N2O3/c24-20-15-8-2-3-9-16(15)21(26-20)23-17(13-22-12-6-5-11-19(22)23)14-7-1-4-10-18(14)25-21/h1-13,24H/t21-/m0/s1
InChIKeyZSTFVTNCHVDDMC-NRFANRHFSA-N
MW339.96 g/mol
LogP0.70
Rot. Bonds

About (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]

(9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene] (PubChem CID 139064687) has the molecular formula C19H14B2N2O3 and a molecular weight of 339.96 g/mol. Its IUPAC name is (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene].

Molecular Properties

Compound Name(9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]
PubChem CID139064687
Molecular FormulaC19H14B2N2O3
Molecular Weight339.96 g/mol
Exact Mass340.12
IUPAC Name(9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]
SMILESOB1O[B@@-]2(Oc3ccccc3-c3cn4ccccc4[n+]32)c2ccccc21
InChIInChI=1S/C19H14B2N2O3/c24-20-15-8-2-3-9-16(15)21(26-20)23-17(13-22-12-6-5-11-19(22)23)14-7-1-4-10-18(14)25-21/h1-13,24H/t21-/m0/s1
InChIKeyZSTFVTNCHVDDMC-NRFANRHFSA-N
XLogP0.70
TPSA46.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.96
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene] 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

4-(6-Phenylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 141381328
2-{7-Methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 3489129
2-allyl-6-{(E)-[(2-phenylimidazo[1,2-a]pyridin-8-yl)imino]methyl}phenol
CID 5179799
4-[4-[(2-Phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]phenol
CID 9292383
2-{6-Methyl-3-[(2-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 15989666
2-{3-[(4-Methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}phenol
CID 135472762
2-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856589
3-[6-[4-(4-Methyl-piperazin-1-yl)phenyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 117769434
6-(2-Phenoxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 117769537
3-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 117770359
3-[6-[6-(4-Methylpiperazin-1-yl)-3-pyridyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 126672869
3-(6-Phenylimidazo [1,2-a]pyrazin-3-yl)phenol
CID 126673041

Frequently Asked Questions

What is the IUPAC name of (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]?
The IUPAC name of (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene] (CID 139064687) is (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene].
What is the SMILES notation for (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]?
The canonical SMILES for (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene] is OB1O[B@@-]2(Oc3ccccc3-c3cn4ccccc4[n+]32)c2ccccc21.
What is the InChIKey of (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]?
The InChIKey is ZSTFVTNCHVDDMC-NRFANRHFSA-N. The full InChI is InChI=1S/C19H14B2N2O3/c24-20-15-8-2-3-9-16(15)21(26-20)23-17(13-22-12-6-5-11-19(22)23)14-7-1-4-10-18(14)25-21/h1-13,24H/t21-/m0/s1.
What are the key properties of (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]?
(9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene] has a molecular weight of 339.96 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene] is sourced from PubChem (CID 139064687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).