10-dodecylphenazin-2-one

C24H32N2O — CID 10570808

IUPAC10-dodecylphenazin-2-one
SMILESCCCCCCCCCCCCn1c2cc(=O)ccc-2nc2ccccc21
InChIInChI=1S/C24H32N2O/c1-2-3-4-5-6-7-8-9-10-13-18-26-23-15-12-11-14-21(23)25-22-17-16-20(27)19-24(22)26/h11-12,14-17,19H,2-10,13,18H2,1H3
InChIKeyPEKZNHHWTJHQBD-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.42
Rot. Bonds11

About 10-dodecylphenazin-2-one

10-dodecylphenazin-2-one (PubChem CID 10570808) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 10-dodecylphenazin-2-one.

Molecular Properties

Compound Name10-dodecylphenazin-2-one
PubChem CID10570808
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name10-dodecylphenazin-2-one
SMILESCCCCCCCCCCCCn1c2cc(=O)ccc-2nc2ccccc21
InChIInChI=1S/C24H32N2O/c1-2-3-4-5-6-7-8-9-10-13-18-26-23-15-12-11-14-21(23)25-22-17-16-20(27)19-24(22)26/h11-12,14-17,19H,2-10,13,18H2,1H3
InChIKeyPEKZNHHWTJHQBD-UHFFFAOYSA-N
XLogP6.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-dodecylphenazin-2-one?
The IUPAC name of 10-dodecylphenazin-2-one (CID 10570808) is 10-dodecylphenazin-2-one.
What is the SMILES notation for 10-dodecylphenazin-2-one?
The canonical SMILES for 10-dodecylphenazin-2-one is CCCCCCCCCCCCn1c2cc(=O)ccc-2nc2ccccc21.
What is the InChIKey of 10-dodecylphenazin-2-one?
The InChIKey is PEKZNHHWTJHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-2-3-4-5-6-7-8-9-10-13-18-26-23-15-12-11-14-21(23)25-22-17-16-20(27)19-24(22)26/h11-12,14-17,19H,2-10,13,18H2,1H3.
What are the key properties of 10-dodecylphenazin-2-one?
10-dodecylphenazin-2-one has a molecular weight of 364.53 g/mol, XLogP of 6.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dodecylphenazin-2-one is sourced from PubChem (CID 10570808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).