4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline

C21H19N3 — CID 6872335

IUPAC4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C21H19N3/c1-23(2)17-13-11-16(12-14-17)15-22-24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24/h3-15H,1-2H3/b22-15+
InChIKeyVXJCQPXPEUCHTL-PXLXIMEGSA-N
MW313.40 g/mol
LogP4.74
Rot. Bonds3

About 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline

4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline (PubChem CID 6872335) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline
PubChem CID6872335
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C21H19N3/c1-23(2)17-13-11-16(12-14-17)15-22-24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24/h3-15H,1-2H3/b22-15+
InChIKeyVXJCQPXPEUCHTL-PXLXIMEGSA-N
XLogP4.74
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline (CID 6872335) is 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline?
The InChIKey is VXJCQPXPEUCHTL-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19N3/c1-23(2)17-13-11-16(12-14-17)15-22-24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24/h3-15H,1-2H3/b22-15+.
What are the key properties of 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline?
4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline has a molecular weight of 313.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 6872335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).