9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde

C27H22N2O — CID 146718046

IUPAC9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde
SMILESCCn1c2cc(C=O)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C27H22N2O/c1-2-28-26-17-20(19-30)13-15-24(26)25-16-14-23(18-27(25)28)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-19H,2H2,1H3
InChIKeyREECODWOINOSFM-UHFFFAOYSA-N
MW390.49 g/mol
LogP7.10
Rot. Bonds5

About 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde

9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde (PubChem CID 146718046) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde.

Molecular Properties

Compound Name9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde
PubChem CID146718046
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde
SMILESCCn1c2cc(C=O)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C27H22N2O/c1-2-28-26-17-20(19-30)13-15-24(26)25-16-14-23(18-27(25)28)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-19H,2H2,1H3
InChIKeyREECODWOINOSFM-UHFFFAOYSA-N
XLogP7.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde?
The IUPAC name of 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde (CID 146718046) is 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde.
What is the SMILES notation for 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde?
The canonical SMILES for 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde is CCn1c2cc(C=O)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde?
The InChIKey is REECODWOINOSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-2-28-26-17-20(19-30)13-15-24(26)25-16-14-23(18-27(25)28)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-19H,2H2,1H3.
What are the key properties of 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde?
9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde has a molecular weight of 390.49 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7-(N-phenylanilino)carbazole-2-carbaldehyde is sourced from PubChem (CID 146718046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).