phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene

C18H21N3 — CID 170842565

IUPACphenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene
SMILESC=C1C=CC=C2C1C(C)(C)C(/N=N/c1ccccc1)N2C
InChIInChI=1S/C18H21N3/c1-13-9-8-12-15-16(13)18(2,3)17(21(15)4)20-19-14-10-6-5-7-11-14/h5-12,16-17H,1H2,2-4H3/b20-19+
InChIKeyJQZBQGTVXAZYTB-FMQUCBEESA-N
MW279.39 g/mol
LogP4.69
Rot. Bonds2

About phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene

phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene (PubChem CID 170842565) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene.

Molecular Properties

Compound Namephenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene
PubChem CID170842565
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Namephenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene
SMILESC=C1C=CC=C2C1C(C)(C)C(/N=N/c1ccccc1)N2C
InChIInChI=1S/C18H21N3/c1-13-9-8-12-15-16(13)18(2,3)17(21(15)4)20-19-14-10-6-5-7-11-14/h5-12,16-17H,1H2,2-4H3/b20-19+
InChIKeyJQZBQGTVXAZYTB-FMQUCBEESA-N
XLogP4.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene
CID 71367798
3-phenyldiazenylcyclohexa-3,5-diene-1,2-dione
CID 90841907
diphenyldiazene;hydrofluoride
CID 174857584
bis(diphenyldiazene);uranium;vanadium
CID 158886927
(5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one
CID 7116164
2-methyl-2-phenyldiazenylpropanedinitrile
CID 23618089
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
2-methylbut-3-en-2-yl(phenyl)diazene
CID 14940485
1,4,4-trimethyl-5-methylidene-2-phenylimidazolidine
CID 143067263
3,4,4-trimethyl-N-phenyl-1,3-thiazolidin-2-imine
CID 23128591
(1-methylindol-3-yl)-phenyldiazene
CID 2847815
6-phenyldiazenylcyclohexa-2,4-diene-1,1-dicarbonitrile
CID 154086393

Frequently Asked Questions

What is the IUPAC name of phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene?
The IUPAC name of phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene (CID 170842565) is phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene.
What is the SMILES notation for phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene?
The canonical SMILES for phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene is C=C1C=CC=C2C1C(C)(C)C(/N=N/c1ccccc1)N2C.
What is the InChIKey of phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene?
The InChIKey is JQZBQGTVXAZYTB-FMQUCBEESA-N. The full InChI is InChI=1S/C18H21N3/c1-13-9-8-12-15-16(13)18(2,3)17(21(15)4)20-19-14-10-6-5-7-11-14/h5-12,16-17H,1H2,2-4H3/b20-19+.
What are the key properties of phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene?
phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene has a molecular weight of 279.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene is sourced from PubChem (CID 170842565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).