4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol

C26H24N4O2 — CID 578807

IUPAC4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1/N=N/c1ccc2ccc(/N=N/c3c(C)cc(O)cc3C)cc2c1
InChIInChI=1S/C26H24N4O2/c1-15-9-23(31)10-16(2)25(15)29-27-21-7-5-19-6-8-22(14-20(19)13-21)28-30-26-17(3)11-24(32)12-18(26)4/h5-14,31-32H,1-4H3/b29-27+,30-28+
InChIKeyBUKZIHKZRYUUFZ-QAVVBOBSSA-N
MW424.50 g/mol
LogP8.32
Rot. Bonds4

About 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol

4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol (PubChem CID 578807) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol
PubChem CID578807
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1/N=N/c1ccc2ccc(/N=N/c3c(C)cc(O)cc3C)cc2c1
InChIInChI=1S/C26H24N4O2/c1-15-9-23(31)10-16(2)25(15)29-27-21-7-5-19-6-8-22(14-20(19)13-21)28-30-26-17(3)11-24(32)12-18(26)4/h5-14,31-32H,1-4H3/b29-27+,30-28+
InChIKeyBUKZIHKZRYUUFZ-QAVVBOBSSA-N
XLogP8.32
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 58.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol?
The IUPAC name of 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol (CID 578807) is 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1/N=N/c1ccc2ccc(/N=N/c3c(C)cc(O)cc3C)cc2c1.
What is the InChIKey of 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol?
The InChIKey is BUKZIHKZRYUUFZ-QAVVBOBSSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-15-9-23(31)10-16(2)25(15)29-27-21-7-5-19-6-8-22(14-20(19)13-21)28-30-26-17(3)11-24(32)12-18(26)4/h5-14,31-32H,1-4H3/b29-27+,30-28+.
What are the key properties of 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol?
4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol has a molecular weight of 424.50 g/mol, XLogP of 8.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]naphthalen-2-yl]diazenyl]-3,5-dimethylphenol is sourced from PubChem (CID 578807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).