4-(2-carbazol-9-ylethyl)benzaldehyde

C21H17NO — CID 102156991

IUPAC4-(2-carbazol-9-ylethyl)benzaldehyde
SMILESO=Cc1ccc(CCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C21H17NO/c23-15-17-11-9-16(10-12-17)13-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,15H,13-14H2
InChIKeyFTINXMYVZKIICU-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.85
Rot. Bonds4

About 4-(2-carbazol-9-ylethyl)benzaldehyde

4-(2-carbazol-9-ylethyl)benzaldehyde (PubChem CID 102156991) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylethyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-carbazol-9-ylethyl)benzaldehyde
PubChem CID102156991
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name4-(2-carbazol-9-ylethyl)benzaldehyde
SMILESO=Cc1ccc(CCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C21H17NO/c23-15-17-11-9-16(10-12-17)13-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,15H,13-14H2
InChIKeyFTINXMYVZKIICU-UHFFFAOYSA-N
XLogP4.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylethyl)benzaldehyde?
The IUPAC name of 4-(2-carbazol-9-ylethyl)benzaldehyde (CID 102156991) is 4-(2-carbazol-9-ylethyl)benzaldehyde.
What is the SMILES notation for 4-(2-carbazol-9-ylethyl)benzaldehyde?
The canonical SMILES for 4-(2-carbazol-9-ylethyl)benzaldehyde is O=Cc1ccc(CCn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylethyl)benzaldehyde?
The InChIKey is FTINXMYVZKIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c23-15-17-11-9-16(10-12-17)13-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,15H,13-14H2.
What are the key properties of 4-(2-carbazol-9-ylethyl)benzaldehyde?
4-(2-carbazol-9-ylethyl)benzaldehyde has a molecular weight of 299.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylethyl)benzaldehyde is sourced from PubChem (CID 102156991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).