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[(9-Benzyl-6-methoxy-9H-carbazol-4-yl)oxy]acetonitrile

HCID 18671663
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2c(c1)c1c(OCC#N)cccc1n2Cc1ccccc1
InChIKey
RIHSOMMWTJMZJU-UHFFFAOYSA-N
Molecular formula
C22H18N2O2
Average molar mass
342.4 g/mol

Names & identifiers

Preferred name
[(9-Benzyl-6-methoxy-9H-carbazol-4-yl)oxy]acetonitrile
IUPAC
2-(9-benzyl-6-methoxycarbazol-4-yl)oxyacetonitrile

Names & synonyms

SCHEMBL6924426RIHSOMMWTJMZJU-UHFFFAOYSA-N[(9-Benzyl-6-methoxy-9H-carbazol-4-yl)oxy]acetonitrile

Database identifiers

PubChem CID
18671663

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
47.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
510

Related reactions

4 records
New reaction record
HRID 669364 reaction equation
HRID 669364As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 838050 reaction equation
HRID 838050As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1057656 reaction equation
HRID 1057656As productuspto-grants-2003_02
HRID 1057657 reaction equation
HRID 1057657As reactantuspto-grants-2003_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes