7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine

C27H24N4O3 — CID 134878886

IUPAC7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine
SMILESCOc1ccc(/N=c2\cc3n(-c4ccc(OC)cc4)c4cc(OC)ccc4nc-3cc2N)cc1
InChIInChI=1S/C27H24N4O3/c1-32-19-8-4-17(5-9-19)29-24-16-27-25(15-22(24)28)30-23-13-12-21(34-3)14-26(23)31(27)18-6-10-20(33-2)11-7-18/h4-16H,28H2,1-3H3/b29-24+
InChIKeyLLQMCJVRERCGKW-RMLRFSFXSA-N
MW452.51 g/mol
LogP4.97
Rot. Bonds5

About 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine

7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine (PubChem CID 134878886) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine.

Molecular Properties

Compound Name7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine
PubChem CID134878886
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine
SMILESCOc1ccc(/N=c2\cc3n(-c4ccc(OC)cc4)c4cc(OC)ccc4nc-3cc2N)cc1
InChIInChI=1S/C27H24N4O3/c1-32-19-8-4-17(5-9-19)29-24-16-27-25(15-22(24)28)30-23-13-12-21(34-3)14-26(23)31(27)18-6-10-20(33-2)11-7-18/h4-16H,28H2,1-3H3/b29-24+
InChIKeyLLQMCJVRERCGKW-RMLRFSFXSA-N
XLogP4.97
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
2-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methoxy-1-(4-methoxyphenyl)benzimidazole
CID 10740892
6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645401
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
2,5,6-trichloro-1-(4-methoxyphenyl)benzimidazole
CID 69246591
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423
7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 12737162
2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
CID 19354019
2-azido-1-(4-methoxyphenyl)-6-methylbenzimidazole
CID 102343981
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine?
The IUPAC name of 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine (CID 134878886) is 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine.
What is the SMILES notation for 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine?
The canonical SMILES for 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine is COc1ccc(/N=c2\cc3n(-c4ccc(OC)cc4)c4cc(OC)ccc4nc-3cc2N)cc1.
What is the InChIKey of 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine?
The InChIKey is LLQMCJVRERCGKW-RMLRFSFXSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-32-19-8-4-17(5-9-19)29-24-16-27-25(15-22(24)28)30-23-13-12-21(34-3)14-26(23)31(27)18-6-10-20(33-2)11-7-18/h4-16H,28H2,1-3H3/b29-24+.
What are the key properties of 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine?
7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine has a molecular weight of 452.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)iminophenazin-2-amine is sourced from PubChem (CID 134878886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).