6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde

C26H23NO2 — CID 85471521

IUPAC6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde
SMILESCC1(C)C=Cc2cc(CCn3c4ccccc4c4ccccc43)cc(C=O)c2O1
InChIInChI=1S/C26H23NO2/c1-26(2)13-11-19-15-18(16-20(17-28)25(19)29-26)12-14-27-23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-11,13,15-17H,12,14H2,1-2H3
InChIKeyQLDDENZBVHBRKN-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.03
Rot. Bonds4

About 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde

6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde (PubChem CID 85471521) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde.

Molecular Properties

Compound Name6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde
PubChem CID85471521
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde
SMILESCC1(C)C=Cc2cc(CCn3c4ccccc4c4ccccc43)cc(C=O)c2O1
InChIInChI=1S/C26H23NO2/c1-26(2)13-11-19-15-18(16-20(17-28)25(19)29-26)12-14-27-23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-11,13,15-17H,12,14H2,1-2H3
InChIKeyQLDDENZBVHBRKN-UHFFFAOYSA-N
XLogP6.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde?
The IUPAC name of 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde (CID 85471521) is 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde.
What is the SMILES notation for 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde?
The canonical SMILES for 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde is CC1(C)C=Cc2cc(CCn3c4ccccc4c4ccccc43)cc(C=O)c2O1.
What is the InChIKey of 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde?
The InChIKey is QLDDENZBVHBRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-26(2)13-11-19-15-18(16-20(17-28)25(19)29-26)12-14-27-23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-11,13,15-17H,12,14H2,1-2H3.
What are the key properties of 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde?
6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde has a molecular weight of 381.48 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-carbazol-9-ylethyl)-2,2-dimethylchromene-8-carbaldehyde is sourced from PubChem (CID 85471521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).