4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C22H17NO2 — CID 90721158

IUPAC4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1c2c(c(O)n1C1c3ccccc3-c3ccccc31)C1C=CC2C1
InChIInChI=1S/C22H17NO2/c24-21-18-12-9-10-13(11-12)19(18)22(25)23(21)20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-10,12-13,20,24-25H,11H2
InChIKeyKCWNVOOARXMVAW-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.66
Rot. Bonds1

About 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 90721158) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID90721158
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1c2c(c(O)n1C1c3ccccc3-c3ccccc31)C1C=CC2C1
InChIInChI=1S/C22H17NO2/c24-21-18-12-9-10-13(11-12)19(18)22(25)23(21)20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-10,12-13,20,24-25H,11H2
InChIKeyKCWNVOOARXMVAW-UHFFFAOYSA-N
XLogP4.66
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91196051
(1R,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-3,10-diol
CID 58218990
(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90761301
4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90918352
1-[2-(3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)phenyl]ethanone
CID 91416933
4-(4-chlorophenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90918591
4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 123527659
4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91027860
1-(9H-fluoren-9-yl)-2H-pyridine
CID 151411559
(1S,7R)-4-(4-piperidin-1-ylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90988271
(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
N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide
CID 70378665

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 90721158) is 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is Oc1c2c(c(O)n1C1c3ccccc3-c3ccccc31)C1C=CC2C1.
What is the InChIKey of 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is KCWNVOOARXMVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-18-12-9-10-13(11-12)19(18)22(25)23(21)20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-10,12-13,20,24-25H,11H2.
What are the key properties of 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
4-(9H-fluoren-9-yl)-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 4.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 90721158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).