10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C22H17NO2 — CID 54414445

IUPAC10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1[nH]c(O)c2c1C1C=CC2C1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-19-15-11-12-16(20(19)22(25)23-21)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15-16,23-25H
InChIKeyVWKJMFGXIOURHP-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.68
Rot. Bonds2

About 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 54414445) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID54414445
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1[nH]c(O)c2c1C1C=CC2C1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-19-15-11-12-16(20(19)22(25)23-21)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15-16,23-25H
InChIKeyVWKJMFGXIOURHP-UHFFFAOYSA-N
XLogP4.68
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-benzhydrylidene-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

Frequently Asked Questions

What is the IUPAC name of 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 54414445) is 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is Oc1[nH]c(O)c2c1C1C=CC2C1=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is VWKJMFGXIOURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-19-15-11-12-16(20(19)22(25)23-21)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15-16,23-25H.
What are the key properties of 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 327.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 54414445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).