8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride

C21H21ClN4 — CID 138398201

IUPAC8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride
SMILESCl.[H]/N=c1/cc2n(-c3ccccc3)c3cc(N(C)C)ccc3nc-2cc1C
InChIInChI=1S/C21H20N4.ClH/c1-14-11-19-21(13-17(14)22)25(15-7-5-4-6-8-15)20-12-16(24(2)3)9-10-18(20)23-19;/h4-13,22H,1-3H3;1H/b22-17-;
InChIKeyIGFPPYWLUIIXOJ-JJECXDOKSA-N
MW364.88 g/mol
LogP4.41
Rot. Bonds2

About 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride

8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride (PubChem CID 138398201) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride.

Molecular Properties

Compound Name8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride
PubChem CID138398201
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride
SMILESCl.[H]/N=c1/cc2n(-c3ccccc3)c3cc(N(C)C)ccc3nc-2cc1C
InChIInChI=1S/C21H20N4.ClH/c1-14-11-19-21(13-17(14)22)25(15-7-5-4-6-8-15)20-12-16(24(2)3)9-10-18(20)23-19;/h4-13,22H,1-3H3;1H/b22-17-;
InChIKeyIGFPPYWLUIIXOJ-JJECXDOKSA-N
XLogP4.41
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride?
The IUPAC name of 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride (CID 138398201) is 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride.
What is the SMILES notation for 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride?
The canonical SMILES for 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride is Cl.[H]/N=c1/cc2n(-c3ccccc3)c3cc(N(C)C)ccc3nc-2cc1C.
What is the InChIKey of 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride?
The InChIKey is IGFPPYWLUIIXOJ-JJECXDOKSA-N. The full InChI is InChI=1S/C21H20N4.ClH/c1-14-11-19-21(13-17(14)22)25(15-7-5-4-6-8-15)20-12-16(24(2)3)9-10-18(20)23-19;/h4-13,22H,1-3H3;1H/b22-17-;.
What are the key properties of 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride?
8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-N,N,7-trimethyl-10-phenylphenazin-2-amine;hydrochloride is sourced from PubChem (CID 138398201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).