3-methyl-10-phenylphenazin-10-ium-2,8-diamine

C19H17N4+ — CID 138606760

IUPAC3-methyl-10-phenylphenazin-10-ium-2,8-diamine
SMILESCc1cc2nc3ccc(N)cc3[n+](-c3ccccc3)c2cc1N
InChIInChI=1S/C19H16N4/c1-12-9-17-19(11-15(12)21)23(14-5-3-2-4-6-14)18-10-13(20)7-8-16(18)22-17/h2-11H,1H3,(H3,20,21)/p+1
InChIKeySUVKCOJBXZYXIG-UHFFFAOYSA-O
MW301.37 g/mol
LogP3.14
Rot. Bonds1

About 3-methyl-10-phenylphenazin-10-ium-2,8-diamine

3-methyl-10-phenylphenazin-10-ium-2,8-diamine (PubChem CID 138606760) has the molecular formula C19H17N4+ and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-methyl-10-phenylphenazin-10-ium-2,8-diamine.

Molecular Properties

Compound Name3-methyl-10-phenylphenazin-10-ium-2,8-diamine
PubChem CID138606760
Molecular FormulaC19H17N4+
Molecular Weight301.37 g/mol
Exact Mass301.14
IUPAC Name3-methyl-10-phenylphenazin-10-ium-2,8-diamine
SMILESCc1cc2nc3ccc(N)cc3[n+](-c3ccccc3)c2cc1N
InChIInChI=1S/C19H16N4/c1-12-9-17-19(11-15(12)21)23(14-5-3-2-4-6-14)18-10-13(20)7-8-16(18)22-17/h2-11H,1H3,(H3,20,21)/p+1
InChIKeySUVKCOJBXZYXIG-UHFFFAOYSA-O
XLogP3.14
TPSA68.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.14
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-methyl-10-phenylphenazin-10-ium-2,8-diamine?
The IUPAC name of 3-methyl-10-phenylphenazin-10-ium-2,8-diamine (CID 138606760) is 3-methyl-10-phenylphenazin-10-ium-2,8-diamine.
What is the SMILES notation for 3-methyl-10-phenylphenazin-10-ium-2,8-diamine?
The canonical SMILES for 3-methyl-10-phenylphenazin-10-ium-2,8-diamine is Cc1cc2nc3ccc(N)cc3[n+](-c3ccccc3)c2cc1N.
What is the InChIKey of 3-methyl-10-phenylphenazin-10-ium-2,8-diamine?
The InChIKey is SUVKCOJBXZYXIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N4/c1-12-9-17-19(11-15(12)21)23(14-5-3-2-4-6-14)18-10-13(20)7-8-16(18)22-17/h2-11H,1H3,(H3,20,21)/p+1.
What are the key properties of 3-methyl-10-phenylphenazin-10-ium-2,8-diamine?
3-methyl-10-phenylphenazin-10-ium-2,8-diamine has a molecular weight of 301.37 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-phenylphenazin-10-ium-2,8-diamine is sourced from PubChem (CID 138606760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).