(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene

C20H20N2 — CID 20649655

IUPAC(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene
SMILESCc1ccccc1/N=N/c1ccc2ccc(C)c(C)c2c1C
InChIInChI=1S/C20H20N2/c1-13-9-10-17-11-12-19(16(4)20(17)15(13)3)22-21-18-8-6-5-7-14(18)2/h5-12H,1-4H3/b22-21+
InChIKeyPEAASRRXGQMQLO-QURGRASLSA-N
MW288.39 g/mol
LogP6.49
Rot. Bonds2

About (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene

(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene (PubChem CID 20649655) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene.

Molecular Properties

Compound Name(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene
PubChem CID20649655
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene
SMILESCc1ccccc1/N=N/c1ccc2ccc(C)c(C)c2c1C
InChIInChI=1S/C20H20N2/c1-13-9-10-17-11-12-19(16(4)20(17)15(13)3)22-21-18-8-6-5-7-14(18)2/h5-12H,1-4H3/b22-21+
InChIKeyPEAASRRXGQMQLO-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 (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene?
The IUPAC name of (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene (CID 20649655) is (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene.
What is the SMILES notation for (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene?
The canonical SMILES for (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene is Cc1ccccc1/N=N/c1ccc2ccc(C)c(C)c2c1C.
What is the InChIKey of (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene?
The InChIKey is PEAASRRXGQMQLO-QURGRASLSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-9-10-17-11-12-19(16(4)20(17)15(13)3)22-21-18-8-6-5-7-14(18)2/h5-12H,1-4H3/b22-21+.
What are the key properties of (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene?
(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)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 (2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene is sourced from PubChem (CID 20649655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).