[2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene

C30H25N3O4 — CID 100937612

IUPAC[2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene
SMILESC=Cc1ccc(COc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c(OCc3cccc(C=C)c3)c2)cc1
InChIInChI=1S/C30H25N3O4/c1-3-22-8-10-24(11-9-22)20-36-28-16-17-29(32-31-26-12-14-27(15-13-26)33(34)35)30(19-28)37-21-25-7-5-6-23(4-2)18-25/h3-19H,1-2,20-21H2/b32-31+
InChIKeyBJPXEWYQAJKLBB-QNEJGDQOSA-N
MW491.55 g/mol
LogP8.45
Rot. Bonds11

About [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene

[2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene (PubChem CID 100937612) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name[2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene
PubChem CID100937612
Molecular FormulaC30H25N3O4
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC Name[2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene
SMILESC=Cc1ccc(COc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c(OCc3cccc(C=C)c3)c2)cc1
InChIInChI=1S/C30H25N3O4/c1-3-22-8-10-24(11-9-22)20-36-28-16-17-29(32-31-26-12-14-27(15-13-26)33(34)35)30(19-28)37-21-25-7-5-6-23(4-2)18-25/h3-19H,1-2,20-21H2/b32-31+
InChIKeyBJPXEWYQAJKLBB-QNEJGDQOSA-N
XLogP8.45
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene?
The IUPAC name of [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene (CID 100937612) is [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene.
What is the SMILES notation for [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene?
The canonical SMILES for [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene is C=Cc1ccc(COc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c(OCc3cccc(C=C)c3)c2)cc1.
What is the InChIKey of [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene?
The InChIKey is BJPXEWYQAJKLBB-QNEJGDQOSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-3-22-8-10-24(11-9-22)20-36-28-16-17-29(32-31-26-12-14-27(15-13-26)33(34)35)30(19-28)37-21-25-7-5-6-23(4-2)18-25/h3-19H,1-2,20-21H2/b32-31+.
What are the key properties of [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene?
[2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene has a molecular weight of 491.55 g/mol, XLogP of 8.45, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethenylphenyl)methoxy]-4-[(4-ethenylphenyl)methoxy]phenyl]-(4-nitrophenyl)diazene is sourced from PubChem (CID 100937612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).