2-(3,9-diethoxyphenazin-2-yl)acetonitrile

C18H17N3O2 — CID 10494934

IUPAC2-(3,9-diethoxyphenazin-2-yl)acetonitrile
SMILESCCOc1cc2nc3cccc(OCC)c3nc2cc1CC#N
InChIInChI=1S/C18H17N3O2/c1-3-22-16-7-5-6-13-18(16)21-14-10-12(8-9-19)17(23-4-2)11-15(14)20-13/h5-7,10-11H,3-4,8H2,1-2H3
InChIKeyABRSHQPVOPINRJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.65
Rot. Bonds5

About 2-(3,9-diethoxyphenazin-2-yl)acetonitrile

2-(3,9-diethoxyphenazin-2-yl)acetonitrile (PubChem CID 10494934) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(3,9-diethoxyphenazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,9-diethoxyphenazin-2-yl)acetonitrile
PubChem CID10494934
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(3,9-diethoxyphenazin-2-yl)acetonitrile
SMILESCCOc1cc2nc3cccc(OCC)c3nc2cc1CC#N
InChIInChI=1S/C18H17N3O2/c1-3-22-16-7-5-6-13-18(16)21-14-10-12(8-9-19)17(23-4-2)11-15(14)20-13/h5-7,10-11H,3-4,8H2,1-2H3
InChIKeyABRSHQPVOPINRJ-UHFFFAOYSA-N
XLogP3.65
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diethoxyphenazin-2-yl)acetonitrile?
The IUPAC name of 2-(3,9-diethoxyphenazin-2-yl)acetonitrile (CID 10494934) is 2-(3,9-diethoxyphenazin-2-yl)acetonitrile.
What is the SMILES notation for 2-(3,9-diethoxyphenazin-2-yl)acetonitrile?
The canonical SMILES for 2-(3,9-diethoxyphenazin-2-yl)acetonitrile is CCOc1cc2nc3cccc(OCC)c3nc2cc1CC#N.
What is the InChIKey of 2-(3,9-diethoxyphenazin-2-yl)acetonitrile?
The InChIKey is ABRSHQPVOPINRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-22-16-7-5-6-13-18(16)21-14-10-12(8-9-19)17(23-4-2)11-15(14)20-13/h5-7,10-11H,3-4,8H2,1-2H3.
What are the key properties of 2-(3,9-diethoxyphenazin-2-yl)acetonitrile?
2-(3,9-diethoxyphenazin-2-yl)acetonitrile has a molecular weight of 307.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diethoxyphenazin-2-yl)acetonitrile is sourced from PubChem (CID 10494934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).