1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene

C20H24N2 — CID 11471887

IUPAC1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene
SMILESCc1cc(C(C)(C)C)c(C(=[N+]=[N-])c2ccccc2)c(C)c1C
InChIInChI=1S/C20H24N2/c1-13-12-17(20(4,5)6)18(15(3)14(13)2)19(22-21)16-10-8-7-9-11-16/h7-12H,1-6H3
InChIKeyFMMOOLMZWRSNBS-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.98
Rot. Bonds2

About 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene

1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene (PubChem CID 11471887) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene
PubChem CID11471887
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene
SMILESCc1cc(C(C)(C)C)c(C(=[N+]=[N-])c2ccccc2)c(C)c1C
InChIInChI=1S/C20H24N2/c1-13-12-17(20(4,5)6)18(15(3)14(13)2)19(22-21)16-10-8-7-9-11-16/h7-12H,1-6H3
InChIKeyFMMOOLMZWRSNBS-UHFFFAOYSA-N
XLogP4.98
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.98
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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Related Compounds

N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
CID 2747574
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
1,1'-(Diazomethylene)bis(benzene)
CID 61230
2-[1-(3,4-Dimethylphenyl)ethylideneamino]guanidine
CID 9707392
Acetophenone azine
CID 5484329
(3Z,5E)-3,6-diphenyl-4,5-diazaocta-3,5-diene
CID 5894538
N-[(2,6-dimethylphenyl)(phenyl)methylene]-N-methylamine
CID 1203670
(2-Benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride
CID 5351937
4-Methylacetophenone azine
CID 9575479
(2-Benzylphenyl)(2,5-dimethylphenyl)methanimine
CID 418268
(Z,4R)-4-(3,4-dimethylphenyl)-N-[(E)-[(4R)-4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine
CID 5771608

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene?
The IUPAC name of 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene (CID 11471887) is 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene.
What is the SMILES notation for 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene?
The canonical SMILES for 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene is Cc1cc(C(C)(C)C)c(C(=[N+]=[N-])c2ccccc2)c(C)c1C.
What is the InChIKey of 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene?
The InChIKey is FMMOOLMZWRSNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-13-12-17(20(4,5)6)18(15(3)14(13)2)19(22-21)16-10-8-7-9-11-16/h7-12H,1-6H3.
What are the key properties of 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene?
1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene has a molecular weight of 292.43 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene is sourced from PubChem (CID 11471887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).