8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine

C20H19N4+ — CID 138606758

IUPAC8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine
SMILESCNc1ccc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2c1
InChIInChI=1S/C20H18N4/c1-13-10-18-20(12-16(13)21)24(15-6-4-3-5-7-15)19-11-14(22-2)8-9-17(19)23-18/h3-12H,1-2H3,(H2,21,22)/p+1
InChIKeyXKFOAPOGDFIMLS-UHFFFAOYSA-O
MW315.40 g/mol
LogP3.60
Rot. Bonds2

About 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine

8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine (PubChem CID 138606758) has the molecular formula C20H19N4+ and a molecular weight of 315.40 g/mol. Its IUPAC name is 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine.

Molecular Properties

Compound Name8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine
PubChem CID138606758
Molecular FormulaC20H19N4+
Molecular Weight315.40 g/mol
Exact Mass315.16
IUPAC Name8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine
SMILESCNc1ccc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2c1
InChIInChI=1S/C20H18N4/c1-13-10-18-20(12-16(13)21)24(15-6-4-3-5-7-15)19-11-14(22-2)8-9-17(19)23-18/h3-12H,1-2H3,(H2,21,22)/p+1
InChIKeyXKFOAPOGDFIMLS-UHFFFAOYSA-O
XLogP3.60
TPSA54.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine?
The IUPAC name of 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine (CID 138606758) is 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine.
What is the SMILES notation for 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine?
The canonical SMILES for 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine is CNc1ccc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2c1.
What is the InChIKey of 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine?
The InChIKey is XKFOAPOGDFIMLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N4/c1-13-10-18-20(12-16(13)21)24(15-6-4-3-5-7-15)19-11-14(22-2)8-9-17(19)23-18/h3-12H,1-2H3,(H2,21,22)/p+1.
What are the key properties of 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine?
8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine has a molecular weight of 315.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,3-dimethyl-10-phenylphenazin-10-ium-2,8-diamine is sourced from PubChem (CID 138606758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).