1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol

C24H20N4O — CID 135801928

IUPAC1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol
SMILESCc1ccccc1/N=N/c1cccc(/N=N/c2c(O)ccc3ccccc23)c1C
InChIInChI=1S/C24H20N4O/c1-16-8-3-6-11-20(16)25-26-21-12-7-13-22(17(21)2)27-28-24-19-10-5-4-9-18(19)14-15-23(24)29/h3-15,29H,1-2H3/b26-25+,28-27+
InChIKeyASCCYJNBDDXAOG-PAMTUDGESA-N
MW380.45 g/mol
LogP7.99
Rot. Bonds4

About 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol

1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol (PubChem CID 135801928) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol
PubChem CID135801928
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol
SMILESCc1ccccc1/N=N/c1cccc(/N=N/c2c(O)ccc3ccccc23)c1C
InChIInChI=1S/C24H20N4O/c1-16-8-3-6-11-20(16)25-26-21-12-7-13-22(17(21)2)27-28-24-19-10-5-4-9-18(19)14-15-23(24)29/h3-15,29H,1-2H3/b26-25+,28-27+
InChIKeyASCCYJNBDDXAOG-PAMTUDGESA-N
XLogP7.99
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol (CID 135801928) is 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol is Cc1ccccc1/N=N/c1cccc(/N=N/c2c(O)ccc3ccccc23)c1C.
What is the InChIKey of 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol?
The InChIKey is ASCCYJNBDDXAOG-PAMTUDGESA-N. The full InChI is InChI=1S/C24H20N4O/c1-16-8-3-6-11-20(16)25-26-21-12-7-13-22(17(21)2)27-28-24-19-10-5-4-9-18(19)14-15-23(24)29/h3-15,29H,1-2H3/b26-25+,28-27+.
What are the key properties of 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol?
1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol has a molecular weight of 380.45 g/mol, XLogP of 7.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135801928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).