2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride

C30H24ClN5 — CID 6454948

IUPAC2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride
SMILESNc1ccc2nc3cc(Nc4ccccc4)c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2c1.[Cl-]
InChIInChI=1S/C30H23N5.ClH/c31-21-16-17-25-29(18-21)35(24-14-8-3-9-15-24)30-20-27(33-23-12-6-2-7-13-23)26(19-28(30)34-25)32-22-10-4-1-5-11-22;/h1-20H,(H3,31,32,33,34);1H
InChIKeySSPMWRJUTFVWHT-UHFFFAOYSA-N
MW490.01 g/mol
LogP3.74
Rot. Bonds5

About 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride

2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride (PubChem CID 6454948) has the molecular formula C30H24ClN5 and a molecular weight of 490.01 g/mol. Its IUPAC name is 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride.

Molecular Properties

Compound Name2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride
PubChem CID6454948
Molecular FormulaC30H24ClN5
Molecular Weight490.01 g/mol
Exact Mass489.17
IUPAC Name2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride
SMILESNc1ccc2nc3cc(Nc4ccccc4)c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2c1.[Cl-]
InChIInChI=1S/C30H23N5.ClH/c31-21-16-17-25-29(18-21)35(24-14-8-3-9-15-24)30-20-27(33-23-12-6-2-7-13-23)26(19-28(30)34-25)32-22-10-4-1-5-11-22;/h1-20H,(H3,31,32,33,34);1H
InChIKeySSPMWRJUTFVWHT-UHFFFAOYSA-N
XLogP3.74
TPSA66.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride?
The IUPAC name of 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride (CID 6454948) is 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride.
What is the SMILES notation for 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride?
The canonical SMILES for 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride is Nc1ccc2nc3cc(Nc4ccccc4)c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2c1.[Cl-].
What is the InChIKey of 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride?
The InChIKey is SSPMWRJUTFVWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5.ClH/c31-21-16-17-25-29(18-21)35(24-14-8-3-9-15-24)30-20-27(33-23-12-6-2-7-13-23)26(19-28(30)34-25)32-22-10-4-1-5-11-22;/h1-20H,(H3,31,32,33,34);1H.
What are the key properties of 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride?
2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride has a molecular weight of 490.01 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,5-triphenylphenazin-5-ium-2,3,7-triamine chloride is sourced from PubChem (CID 6454948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).