4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol

C28H26N6O2 — CID 136901382

IUPAC4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
SMILESCc1cc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4cc(C)c(O)c(C)c4)cc3)cc2)cc(C)c1O
InChIInChI=1S/C28H26N6O2/c1-17-13-25(14-18(2)27(17)35)33-31-23-9-5-21(6-10-23)29-30-22-7-11-24(12-8-22)32-34-26-15-19(3)28(36)20(4)16-26/h5-16,35-36H,1-4H3/b30-29+,33-31+,34-32+
InChIKeyPPLZZUUIYMGEEH-FSVBEFDCSA-N
MW478.56 g/mol
LogP9.58
Rot. Bonds6

About 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol

4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol (PubChem CID 136901382) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
PubChem CID136901382
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
SMILESCc1cc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4cc(C)c(O)c(C)c4)cc3)cc2)cc(C)c1O
InChIInChI=1S/C28H26N6O2/c1-17-13-25(14-18(2)27(17)35)33-31-23-9-5-21(6-10-23)29-30-22-7-11-24(12-8-22)32-34-26-15-19(3)28(36)20(4)16-26/h5-16,35-36H,1-4H3/b30-29+,33-31+,34-32+
InChIKeyPPLZZUUIYMGEEH-FSVBEFDCSA-N
XLogP9.58
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 59.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol (CID 136901382) is 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol is Cc1cc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4cc(C)c(O)c(C)c4)cc3)cc2)cc(C)c1O.
What is the InChIKey of 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol?
The InChIKey is PPLZZUUIYMGEEH-FSVBEFDCSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-17-13-25(14-18(2)27(17)35)33-31-23-9-5-21(6-10-23)29-30-22-7-11-24(12-8-22)32-34-26-15-19(3)28(36)20(4)16-26/h5-16,35-36H,1-4H3/b30-29+,33-31+,34-32+.
What are the key properties of 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol?
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol has a molecular weight of 478.56 g/mol, XLogP of 9.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol is sourced from PubChem (CID 136901382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).