(6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene

C20H20N2 — CID 20681158

IUPAC(6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene
SMILESCc1ccc(/N=N/c2ccc3cc(C)cc(C)c3c2)c(C)c1
InChIInChI=1S/C20H20N2/c1-13-5-8-20(16(4)9-13)22-21-18-7-6-17-11-14(2)10-15(3)19(17)12-18/h5-12H,1-4H3/b22-21+
InChIKeyOXKAIDBVICNWIF-QURGRASLSA-N
MW288.39 g/mol
LogP6.49
Rot. Bonds2

About (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene

(6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene (PubChem CID 20681158) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene.

Molecular Properties

Compound Name(6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene
PubChem CID20681158
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene
SMILESCc1ccc(/N=N/c2ccc3cc(C)cc(C)c3c2)c(C)c1
InChIInChI=1S/C20H20N2/c1-13-5-8-20(16(4)9-13)22-21-18-7-6-17-11-14(2)10-15(3)19(17)12-18/h5-12H,1-4H3/b22-21+
InChIKeyOXKAIDBVICNWIF-QURGRASLSA-N
XLogP6.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene?
The IUPAC name of (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene (CID 20681158) is (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene.
What is the SMILES notation for (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene?
The canonical SMILES for (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene is Cc1ccc(/N=N/c2ccc3cc(C)cc(C)c3c2)c(C)c1.
What is the InChIKey of (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene?
The InChIKey is OXKAIDBVICNWIF-QURGRASLSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-5-8-20(16(4)9-13)22-21-18-7-6-17-11-14(2)10-15(3)19(17)12-18/h5-12H,1-4H3/b22-21+.
What are the key properties of (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene?
(6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene has a molecular weight of 288.39 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethylnaphthalen-2-yl)-(2,4-dimethylphenyl)diazene is sourced from PubChem (CID 20681158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).