(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene

C20H22N2 — CID 22946830

IUPAC(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene
SMILESCC1=CCC(C)(C)c2ccc(/N=N/c3ccc(C)cc3)cc21
InChIInChI=1S/C20H22N2/c1-14-5-7-16(8-6-14)21-22-17-9-10-19-18(13-17)15(2)11-12-20(19,3)4/h5-11,13H,12H2,1-4H3/b22-21+
InChIKeyKKFOPHOSSYSCGJ-QURGRASLSA-N
MW290.41 g/mol
LogP6.50
Rot. Bonds2

About (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene

(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene (PubChem CID 22946830) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene.

Molecular Properties

Compound Name(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene
PubChem CID22946830
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene
SMILESCC1=CCC(C)(C)c2ccc(/N=N/c3ccc(C)cc3)cc21
InChIInChI=1S/C20H22N2/c1-14-5-7-16(8-6-14)21-22-17-9-10-19-18(13-17)15(2)11-12-20(19,3)4/h5-11,13H,12H2,1-4H3/b22-21+
InChIKeyKKFOPHOSSYSCGJ-QURGRASLSA-N
XLogP6.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 56.50
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 (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene?
The IUPAC name of (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene (CID 22946830) is (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene.
What is the SMILES notation for (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene?
The canonical SMILES for (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene is CC1=CCC(C)(C)c2ccc(/N=N/c3ccc(C)cc3)cc21.
What is the InChIKey of (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene?
The InChIKey is KKFOPHOSSYSCGJ-QURGRASLSA-N. The full InChI is InChI=1S/C20H22N2/c1-14-5-7-16(8-6-14)21-22-17-9-10-19-18(13-17)15(2)11-12-20(19,3)4/h5-11,13H,12H2,1-4H3/b22-21+.
What are the key properties of (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene?
(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene has a molecular weight of 290.41 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene is sourced from PubChem (CID 22946830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).