[4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene

C53H61N7O6 — CID 101054146

IUPAC[4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene
SMILESC=Cc1ccc(-c2nc(OCCCCCCCCCCOc3ccc(/N=N/c4ccc(OC)cc4)cc3)nc(OCCCCCCOc3ccc(/N=N/c4ccc(OC)cc4)cc3)n2)cc1
InChIInChI=1S/C53H61N7O6/c1-4-41-17-19-42(20-18-41)51-54-52(56-53(55-51)66-40-16-12-11-14-38-64-50-35-27-46(28-36-50)60-58-44-23-31-48(62-3)32-24-44)65-39-15-10-8-6-5-7-9-13-37-63-49-33-25-45(26-34-49)59-57-43-21-29-47(61-2)30-22-43/h4,17-36H,1,5-16,37-40H2,2-3H3/b59-57+,60-58+
InChIKeyFKCCFKBVCCSVMX-YGZNCWGHSA-N
MW892.11 g/mol
LogP14.63
Rot. Bonds30

About [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene

[4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene (PubChem CID 101054146) has the molecular formula C53H61N7O6 and a molecular weight of 892.11 g/mol. Its IUPAC name is [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name[4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene
PubChem CID101054146
Molecular FormulaC53H61N7O6
Molecular Weight892.11 g/mol
Exact Mass891.47
IUPAC Name[4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene
SMILESC=Cc1ccc(-c2nc(OCCCCCCCCCCOc3ccc(/N=N/c4ccc(OC)cc4)cc3)nc(OCCCCCCOc3ccc(/N=N/c4ccc(OC)cc4)cc3)n2)cc1
InChIInChI=1S/C53H61N7O6/c1-4-41-17-19-42(20-18-41)51-54-52(56-53(55-51)66-40-16-12-11-14-38-64-50-35-27-46(28-36-50)60-58-44-23-31-48(62-3)32-24-44)65-39-15-10-8-6-5-7-9-13-37-63-49-33-25-45(26-34-49)59-57-43-21-29-47(61-2)30-22-43/h4,17-36H,1,5-16,37-40H2,2-3H3/b59-57+,60-58+
InChIKeyFKCCFKBVCCSVMX-YGZNCWGHSA-N
XLogP14.63
TPSA143.49 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500892.11
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene with MolForge

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Related Compounds

[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
CID 59439786
1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
CID 101153259
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-henicosoxybenzene
CID 174769675
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212

Frequently Asked Questions

What is the IUPAC name of [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene?
The IUPAC name of [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene (CID 101054146) is [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene.
What is the SMILES notation for [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene?
The canonical SMILES for [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene is C=Cc1ccc(-c2nc(OCCCCCCCCCCOc3ccc(/N=N/c4ccc(OC)cc4)cc3)nc(OCCCCCCOc3ccc(/N=N/c4ccc(OC)cc4)cc3)n2)cc1.
What is the InChIKey of [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene?
The InChIKey is FKCCFKBVCCSVMX-YGZNCWGHSA-N. The full InChI is InChI=1S/C53H61N7O6/c1-4-41-17-19-42(20-18-41)51-54-52(56-53(55-51)66-40-16-12-11-14-38-64-50-35-27-46(28-36-50)60-58-44-23-31-48(62-3)32-24-44)65-39-15-10-8-6-5-7-9-13-37-63-49-33-25-45(26-34-49)59-57-43-21-29-47(61-2)30-22-43/h4,17-36H,1,5-16,37-40H2,2-3H3/b59-57+,60-58+.
What are the key properties of [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene?
[4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene has a molecular weight of 892.11 g/mol, XLogP of 14.63, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[[4-(4-ethenylphenyl)-6-[10-[4-[(4-methoxyphenyl)diazenyl]phenoxy]decoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]phenyl]-(4-methoxyphenyl)diazene is sourced from PubChem (CID 101054146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).