4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C21H17NO2 — CID 91196051

IUPAC4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccccc1-c1ccccc1)C1C=CC2C1
InChIInChI=1S/C21H17NO2/c23-20-18-14-10-11-15(12-14)19(18)21(24)22(20)17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-11,14-15,23-24H,12H2
InChIKeyNQCFXVNXSGACAI-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.70
Rot. Bonds2

About 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 91196051) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID91196051
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccccc1-c1ccccc1)C1C=CC2C1
InChIInChI=1S/C21H17NO2/c23-20-18-14-10-11-15(12-14)19(18)21(24)22(20)17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-11,14-15,23-24H,12H2
InChIKeyNQCFXVNXSGACAI-UHFFFAOYSA-N
XLogP4.70
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol 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-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90918352
(1S,7R)-4-[3-(2-hydroxy-3-phenylphenyl)phenyl]-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 90871097
4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90721158
(1S,7R)-4-[4-(diethylamino)naphthalen-1-yl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91213137
(1S,7R)-4-(4-piperidin-1-ylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90988271
(1R,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-3,10-diol
CID 58218990
4-(2-phenylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3742062
2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane
CID 151588176
[10-[hydroxy(phenyl)phosphoryl]oxy-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaenyl]oxy-phenylphosphinic acid
CID 102217706
4-(2-phenylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898416
2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid
CID 24688652
11-(2-methoxyphenyl)-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,9,12-triene-10,12-diol
CID 90987559

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 91196051) is 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is Oc1c2c(c(O)n1-c1ccccc1-c1ccccc1)C1C=CC2C1.
What is the InChIKey of 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is NQCFXVNXSGACAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-20-18-14-10-11-15(12-14)19(18)21(24)22(20)17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-11,14-15,23-24H,12H2.
What are the key properties of 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 315.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 91196051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).