4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol

C28H26N4O2 — CID 136913309

IUPAC4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
SMILESCc1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(C)c4)c(C)c3)cc2C)ccc1O
InChIInChI=1S/C28H26N4O2/c1-17-13-21(5-9-25(17)31-29-23-7-11-27(33)19(3)15-23)22-6-10-26(18(2)14-22)32-30-24-8-12-28(34)20(4)16-24/h5-16,33-34H,1-4H3/b31-29+,32-30+
InChIKeyIWRGIBQUYWVUDM-JWTBXLROSA-N
MW450.54 g/mol
LogP8.83
Rot. Bonds5

About 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol

4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol (PubChem CID 136913309) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol.

Molecular Properties

Compound Name4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
PubChem CID136913309
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
SMILESCc1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(C)c4)c(C)c3)cc2C)ccc1O
InChIInChI=1S/C28H26N4O2/c1-17-13-21(5-9-25(17)31-29-23-7-11-27(33)19(3)15-23)22-6-10-26(18(2)14-22)32-30-24-8-12-28(34)20(4)16-24/h5-16,33-34H,1-4H3/b31-29+,32-30+
InChIKeyIWRGIBQUYWVUDM-JWTBXLROSA-N
XLogP8.83
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 58.83
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-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol?
The IUPAC name of 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol (CID 136913309) is 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol.
What is the SMILES notation for 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol?
The canonical SMILES for 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol is Cc1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(C)c4)c(C)c3)cc2C)ccc1O.
What is the InChIKey of 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol?
The InChIKey is IWRGIBQUYWVUDM-JWTBXLROSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-17-13-21(5-9-25(17)31-29-23-7-11-27(33)19(3)15-23)22-6-10-26(18(2)14-22)32-30-24-8-12-28(34)20(4)16-24/h5-16,33-34H,1-4H3/b31-29+,32-30+.
What are the key properties of 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol?
4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol has a molecular weight of 450.54 g/mol, XLogP of 8.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol is sourced from PubChem (CID 136913309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).