3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one

C21H15N3O — CID 135521199

IUPAC3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21-20(17-13-7-8-14-18(17)22-21)24-23-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,22,24,25)
InChIKeyUGKQKQHJZRBKHC-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.88
Rot. Bonds3

About 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one

3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one (PubChem CID 135521199) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one.

Molecular Properties

Compound Name3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
PubChem CID135521199
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21-20(17-13-7-8-14-18(17)22-21)24-23-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,22,24,25)
InChIKeyUGKQKQHJZRBKHC-UHFFFAOYSA-N
XLogP3.88
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1H-indol-2-one
CID 135766320
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one
CID 136828463
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
(3Z)-3-[(E)-[(3-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]-1H-indol-2-one
CID 135820583
3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135516462
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
CID 12761441
[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
CID 136661922
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060

Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one?
The IUPAC name of 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one (CID 135521199) is 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one.
What is the SMILES notation for 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one?
The canonical SMILES for 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one is O=C1Nc2ccccc2C1=NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one?
The InChIKey is UGKQKQHJZRBKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21-20(17-13-7-8-14-18(17)22-21)24-23-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,22,24,25).
What are the key properties of 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one?
3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one has a molecular weight of 325.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one is sourced from PubChem (CID 135521199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).