2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene

C19H22N2 — CID 13089719

IUPAC2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(=[N+]=[N-])c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H22N2/c1-11-7-13(3)17(14(4)8-11)19(21-20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKeyNMGUJIWXEYBYIO-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.60
Rot. Bonds2

About 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene

2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 13089719) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID13089719
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(=[N+]=[N-])c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H22N2/c1-11-7-13(3)17(14(4)8-11)19(21-20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKeyNMGUJIWXEYBYIO-UHFFFAOYSA-N
XLogP4.60
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene (CID 13089719) is 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(=[N+]=[N-])c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is NMGUJIWXEYBYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-11-7-13(3)17(14(4)8-11)19(21-20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3.
What are the key properties of 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene?
2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 278.40 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diazo-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 13089719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).