ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol

C21H19N3O — CID 136657550

IUPACethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
SMILESCC.Oc1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12
InChIInChI=1S/C19H13N3O.C2H6/c23-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)22-21-17-11-5-6-12-20-17;1-2/h1-12,23H;1-2H3/b22-21+;
InChIKeyWZSSMCWUROCPHE-QUABFQRHSA-N
MW329.40 g/mol
LogP6.54
Rot. Bonds2

About ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol

ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol (PubChem CID 136657550) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol.

Molecular Properties

Compound Nameethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
PubChem CID136657550
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Nameethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
SMILESCC.Oc1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12
InChIInChI=1S/C19H13N3O.C2H6/c23-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)22-21-17-11-5-6-12-20-17;1-2/h1-12,23H;1-2H3/b22-21+;
InChIKeyWZSSMCWUROCPHE-QUABFQRHSA-N
XLogP6.54
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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10-pyridin-2-ylphenanthren-9-ol
CID 135973428
4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
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N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide
CID 102057168
CID 159774237
CID 159774237
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CID 4180559
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CID 10773684

Frequently Asked Questions

What is the IUPAC name of ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol?
The IUPAC name of ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol (CID 136657550) is ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol.
What is the SMILES notation for ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol?
The canonical SMILES for ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol is CC.Oc1c(/N=N/c2ccccn2)c2ccccc2c2ccccc12.
What is the InChIKey of ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol?
The InChIKey is WZSSMCWUROCPHE-QUABFQRHSA-N. The full InChI is InChI=1S/C19H13N3O.C2H6/c23-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)22-21-17-11-5-6-12-20-17;1-2/h1-12,23H;1-2H3/b22-21+;.
What are the key properties of ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol?
ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol has a molecular weight of 329.40 g/mol, XLogP of 6.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol is sourced from PubChem (CID 136657550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).