3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride

C20H19ClN4 — CID 2723800

IUPAC3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride
SMILESCc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N.[Cl-]
InChIInChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H
InChIKeyOARRHUQTFTUEOS-UHFFFAOYSA-N
MW350.85 g/mol
LogP0.45
Rot. Bonds1

About 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride

3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride (PubChem CID 2723800) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride.

Molecular Properties

Compound Name3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride
PubChem CID2723800
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride
SMILESCc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N.[Cl-]
InChIInChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H
InChIKeyOARRHUQTFTUEOS-UHFFFAOYSA-N
XLogP0.45
TPSA68.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 50.45
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 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride?
The IUPAC name of 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride (CID 2723800) is 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride.
What is the SMILES notation for 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride?
The canonical SMILES for 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride is Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N.[Cl-].
What is the InChIKey of 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride?
The InChIKey is OARRHUQTFTUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H.
What are the key properties of 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride?
3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride has a molecular weight of 350.85 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride is sourced from PubChem (CID 2723800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).