1-N,10-diphenylphenazin-10-ium-1,8-diamine

C24H19N4+ — CID 101478710

IUPAC1-N,10-diphenylphenazin-10-ium-1,8-diamine
SMILESNc1ccc2nc3cccc(Nc4ccccc4)c3[n+](-c3ccccc3)c2c1
InChIInChI=1S/C24H18N4/c25-17-14-15-20-23(16-17)28(19-10-5-2-6-11-19)24-21(12-7-13-22(24)27-20)26-18-8-3-1-4-9-18/h1-16,25-26H/p+1
InChIKeyHOJAWXDPTIQAJF-UHFFFAOYSA-O
MW363.44 g/mol
LogP4.99
Rot. Bonds3

About 1-N,10-diphenylphenazin-10-ium-1,8-diamine

1-N,10-diphenylphenazin-10-ium-1,8-diamine (PubChem CID 101478710) has the molecular formula C24H19N4+ and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-N,10-diphenylphenazin-10-ium-1,8-diamine.

Molecular Properties

Compound Name1-N,10-diphenylphenazin-10-ium-1,8-diamine
PubChem CID101478710
Molecular FormulaC24H19N4+
Molecular Weight363.44 g/mol
Exact Mass363.16
IUPAC Name1-N,10-diphenylphenazin-10-ium-1,8-diamine
SMILESNc1ccc2nc3cccc(Nc4ccccc4)c3[n+](-c3ccccc3)c2c1
InChIInChI=1S/C24H18N4/c25-17-14-15-20-23(16-17)28(19-10-5-2-6-11-19)24-21(12-7-13-22(24)27-20)26-18-8-3-1-4-9-18/h1-16,25-26H/p+1
InChIKeyHOJAWXDPTIQAJF-UHFFFAOYSA-O
XLogP4.99
TPSA54.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.99
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 1-N,10-diphenylphenazin-10-ium-1,8-diamine?
The IUPAC name of 1-N,10-diphenylphenazin-10-ium-1,8-diamine (CID 101478710) is 1-N,10-diphenylphenazin-10-ium-1,8-diamine.
What is the SMILES notation for 1-N,10-diphenylphenazin-10-ium-1,8-diamine?
The canonical SMILES for 1-N,10-diphenylphenazin-10-ium-1,8-diamine is Nc1ccc2nc3cccc(Nc4ccccc4)c3[n+](-c3ccccc3)c2c1.
What is the InChIKey of 1-N,10-diphenylphenazin-10-ium-1,8-diamine?
The InChIKey is HOJAWXDPTIQAJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H18N4/c25-17-14-15-20-23(16-17)28(19-10-5-2-6-11-19)24-21(12-7-13-22(24)27-20)26-18-8-3-1-4-9-18/h1-16,25-26H/p+1.
What are the key properties of 1-N,10-diphenylphenazin-10-ium-1,8-diamine?
1-N,10-diphenylphenazin-10-ium-1,8-diamine has a molecular weight of 363.44 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,10-diphenylphenazin-10-ium-1,8-diamine is sourced from PubChem (CID 101478710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).