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

C25H29N5O — CID 157373423

IUPACethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
SMILESCC.Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C23H23N5O.C2H6/c1-18-2-4-19(5-3-18)24-25-20-6-8-21(9-7-20)26-27-22-10-12-23(13-11-22)28-14-16-29-17-15-28;1-2/h2-13H,14-17H2,1H3;1-2H3/b25-24+,27-26+;
InChIKeyBKANFMPQVPLDIL-ZZFYGNPESA-N
MW415.54 g/mol
LogP7.69
Rot. Bonds5

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

ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene (PubChem CID 157373423) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene.

Molecular Properties

Compound Nameethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
PubChem CID157373423
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Nameethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
SMILESCC.Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C23H23N5O.C2H6/c1-18-2-4-19(5-3-18)24-25-20-6-8-21(9-7-20)26-27-22-10-12-23(13-11-22)28-14-16-29-17-15-28;1-2/h2-13H,14-17H2,1H3;1-2H3/b25-24+,27-26+;
InChIKeyBKANFMPQVPLDIL-ZZFYGNPESA-N
XLogP7.69
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 57.69
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

(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 88875102
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene
CID 123256247
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene
CID 121366200
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
bis(4-methylphenyl)diazene
CID 10389
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene?
The IUPAC name of ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene (CID 157373423) is ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene.
What is the SMILES notation for ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene?
The canonical SMILES for ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene is CC.Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene?
The InChIKey is BKANFMPQVPLDIL-ZZFYGNPESA-N. The full InChI is InChI=1S/C23H23N5O.C2H6/c1-18-2-4-19(5-3-18)24-25-20-6-8-21(9-7-20)26-27-22-10-12-23(13-11-22)28-14-16-29-17-15-28;1-2/h2-13H,14-17H2,1H3;1-2H3/b25-24+,27-26+;.
What are the key properties of ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene?
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene has a molecular weight of 415.54 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene is sourced from PubChem (CID 157373423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).