N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine

C28H26N4O2 — CID 14020599

IUPACN,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine
SMILES[H]/N=c1\cc2n(-c3ccc(OCC)cc3)c3ccccc3nc-2cc1Nc1ccc(OCC)cc1
InChIInChI=1S/C28H26N4O2/c1-3-33-21-13-9-19(10-14-21)30-25-18-26-28(17-23(25)29)32(27-8-6-5-7-24(27)31-26)20-11-15-22(16-12-20)34-4-2/h5-18,29-30H,3-4H2,1-2H3/b29-23+
InChIKeyVGFRHNZEYPXWJO-BYNJWEBRSA-N
MW450.54 g/mol
LogP6.15
Rot. Bonds7

About N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine

N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine (PubChem CID 14020599) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine
PubChem CID14020599
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine
SMILES[H]/N=c1\cc2n(-c3ccc(OCC)cc3)c3ccccc3nc-2cc1Nc1ccc(OCC)cc1
InChIInChI=1S/C28H26N4O2/c1-3-33-21-13-9-19(10-14-21)30-25-18-26-28(17-23(25)29)32(27-8-6-5-7-24(27)31-26)20-11-15-22(16-12-20)34-4-2/h5-18,29-30H,3-4H2,1-2H3/b29-23+
InChIKeyVGFRHNZEYPXWJO-BYNJWEBRSA-N
XLogP6.15
TPSA72.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-3-imino-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
CID 71505890
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
3-(4-ethoxybutan-2-ylimino)-N-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
CID 123944991
3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine
CID 14020653
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine
CID 24829296
N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine
CID 635889
3-[(1-ethylpyrrolidin-2-yl)methylimino]-N,5-diphenylphenazin-2-amine
CID 14020638
3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805723
2-[2-[(3-anilino-10-phenylphenazin-2-ylidene)amino]ethyl]guanidine
CID 71616573
3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66631986
N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
CID 4697797

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine?
The IUPAC name of N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine (CID 14020599) is N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine.
What is the SMILES notation for N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine?
The canonical SMILES for N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine is [H]/N=c1\cc2n(-c3ccc(OCC)cc3)c3ccccc3nc-2cc1Nc1ccc(OCC)cc1.
What is the InChIKey of N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine?
The InChIKey is VGFRHNZEYPXWJO-BYNJWEBRSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-3-33-21-13-9-19(10-14-21)30-25-18-26-28(17-23(25)29)32(27-8-6-5-7-24(27)31-26)20-11-15-22(16-12-20)34-4-2/h5-18,29-30H,3-4H2,1-2H3/b29-23+.
What are the key properties of N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine?
N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine has a molecular weight of 450.54 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-ethoxyphenyl)-3-iminophenazin-2-amine is sourced from PubChem (CID 14020599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).