10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride

C18H16Cl2N4 — CID 66694702

IUPAC10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride
SMILESCl.Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-]
InChIInChI=1S/C18H14N4.2ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;;/h1-11H,(H3,19,20);2*1H
InChIKeyVXEJYRGFBMPQMD-UHFFFAOYSA-N
MW359.26 g/mol
LogP0.25
Rot. Bonds1

About 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride

10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride (PubChem CID 66694702) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride.

Molecular Properties

Compound Name10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride
PubChem CID66694702
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride
SMILESCl.Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-]
InChIInChI=1S/C18H14N4.2ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;;/h1-11H,(H3,19,20);2*1H
InChIKeyVXEJYRGFBMPQMD-UHFFFAOYSA-N
XLogP0.25
TPSA68.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 50.25
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 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride?
The IUPAC name of 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride (CID 66694702) is 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride.
What is the SMILES notation for 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride?
The canonical SMILES for 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride is Cl.Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-].
What is the InChIKey of 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride?
The InChIKey is VXEJYRGFBMPQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4.2ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;;/h1-11H,(H3,19,20);2*1H.
What are the key properties of 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride?
10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride has a molecular weight of 359.26 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride is sourced from PubChem (CID 66694702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).