phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene

C20H26N2 — CID 88827442

IUPACphenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
SMILESCC(C)(C)CC(C)(C)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C20H26N2/c1-19(2,3)15-20(4,5)17-13-9-10-14-18(17)22-21-16-11-7-6-8-12-16/h6-14H,15H2,1-5H3/b22-21+
InChIKeyYZEWQNNAKIZCIQ-QURGRASLSA-N
MW294.44 g/mol
LogP6.82
Rot. Bonds4

About phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene

phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene (PubChem CID 88827442) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene.

Molecular Properties

Compound Namephenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
PubChem CID88827442
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Namephenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
SMILESCC(C)(C)CC(C)(C)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C20H26N2/c1-19(2,3)15-20(4,5)17-13-9-10-14-18(17)22-21-16-11-7-6-8-12-16/h6-14H,15H2,1-5H3/b22-21+
InChIKeyYZEWQNNAKIZCIQ-QURGRASLSA-N
XLogP6.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 56.82
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 phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene?
The IUPAC name of phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene (CID 88827442) is phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene.
What is the SMILES notation for phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene?
The canonical SMILES for phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene is CC(C)(C)CC(C)(C)c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene?
The InChIKey is YZEWQNNAKIZCIQ-QURGRASLSA-N. The full InChI is InChI=1S/C20H26N2/c1-19(2,3)15-20(4,5)17-13-9-10-14-18(17)22-21-16-11-7-6-8-12-16/h6-14H,15H2,1-5H3/b22-21+.
What are the key properties of phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene?
phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene has a molecular weight of 294.44 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene is sourced from PubChem (CID 88827442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).