(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene

C23H23N5O — CID 88875102

IUPAC(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
SMILESCc1cccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)c1
InChIInChI=1S/C23H23N5O/c1-18-3-2-4-22(17-18)27-26-20-7-5-19(6-8-20)24-25-21-9-11-23(12-10-21)28-13-15-29-16-14-28/h2-12,17H,13-16H2,1H3/b25-24+,27-26+
InChIKeyRGTSRGOQMVIGLW-JQRDNDPDSA-N
MW385.47 g/mol
LogP6.66
Rot. Bonds5

About (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene

(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene (PubChem CID 88875102) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene.

Molecular Properties

Compound Name(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
PubChem CID88875102
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
SMILESCc1cccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)c1
InChIInChI=1S/C23H23N5O/c1-18-3-2-4-22(17-18)27-26-20-7-5-19(6-8-20)24-25-21-9-11-23(12-10-21)28-13-15-29-16-14-28/h2-12,17H,13-16H2,1H3/b25-24+,27-26+
InChIKeyRGTSRGOQMVIGLW-JQRDNDPDSA-N
XLogP6.66
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
1-(2-methoxy-4-morpholin-4-ylphenyl)-N-(3-methylphenyl)methanimine
CID 126238269
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
CID 19011238
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene
CID 121366200
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride
CID 145088077

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene?
The IUPAC name of (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene (CID 88875102) is (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene.
What is the SMILES notation for (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene?
The canonical SMILES for (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene is Cc1cccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)c1.
What is the InChIKey of (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene?
The InChIKey is RGTSRGOQMVIGLW-JQRDNDPDSA-N. The full InChI is InChI=1S/C23H23N5O/c1-18-3-2-4-22(17-18)27-26-20-7-5-19(6-8-20)24-25-21-9-11-23(12-10-21)28-13-15-29-16-14-28/h2-12,17H,13-16H2,1H3/b25-24+,27-26+.
What are the key properties of (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene?
(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene has a molecular weight of 385.47 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene is sourced from PubChem (CID 88875102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).