4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline

C23H25N5O — CID 148790382

IUPAC4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline
SMILESCOc1ccc(/N=N/c2ccc(/N=N/c3cc(C)c(N)cc3C)cc2C)c(C)c1
InChIInChI=1S/C23H25N5O/c1-14-13-23(17(4)12-20(14)24)28-25-18-6-8-21(15(2)10-18)26-27-22-9-7-19(29-5)11-16(22)3/h6-13H,24H2,1-5H3/b27-26+,28-25+
InChIKeyOMAVBVSHGVZPAM-JOSXGXAISA-N
MW387.49 g/mol
LogP7.34
Rot. Bonds5

About 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline

4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline (PubChem CID 148790382) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline
PubChem CID148790382
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline
SMILESCOc1ccc(/N=N/c2ccc(/N=N/c3cc(C)c(N)cc3C)cc2C)c(C)c1
InChIInChI=1S/C23H25N5O/c1-14-13-23(17(4)12-20(14)24)28-25-18-6-8-21(15(2)10-18)26-27-22-9-7-19(29-5)11-16(22)3/h6-13H,24H2,1-5H3/b27-26+,28-25+
InChIKeyOMAVBVSHGVZPAM-JOSXGXAISA-N
XLogP7.34
TPSA84.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol
CID 121277010
2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 21343265
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
CID 118049560
[3-methyl-4-(naphthalen-2-yldiazenyl)phenyl] 4-methoxybenzoate
CID 101055785
[4-[(2,4-dimethylphenyl)diazenyl]-2-methylphenyl] 4-methoxybenzoate
CID 102345178
4-[(4-chlorophenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 20545497
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 58654539
[5-methoxy-2-methyl-4-[[2-methyl-4-(4-pentoxyphenoxy)phenyl]diazenyl]phenyl]-[4-[[2-methyl-4-(4-pentoxyphenoxy)phenyl]diazenyl]phenyl]diazene
CID 88703398
CID 58331004
CID 58331004
2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine
CID 89470377
N'-(4-methoxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25767
7-[(4-amino-2,5-dimethylphenyl)diazenyl]-3-(3-sulfopropoxy)naphthalene-1-sulfonic acid
CID 88925293

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline?
The IUPAC name of 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline (CID 148790382) is 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline.
What is the SMILES notation for 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline?
The canonical SMILES for 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline is COc1ccc(/N=N/c2ccc(/N=N/c3cc(C)c(N)cc3C)cc2C)c(C)c1.
What is the InChIKey of 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline?
The InChIKey is OMAVBVSHGVZPAM-JOSXGXAISA-N. The full InChI is InChI=1S/C23H25N5O/c1-14-13-23(17(4)12-20(14)24)28-25-18-6-8-21(15(2)10-18)26-27-22-9-7-19(29-5)11-16(22)3/h6-13H,24H2,1-5H3/b27-26+,28-25+.
What are the key properties of 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline?
4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline has a molecular weight of 387.49 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline is sourced from PubChem (CID 148790382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).