9-octylcarbazole-2-carbaldehyde

C21H25NO — CID 71623415

IUPAC9-octylcarbazole-2-carbaldehyde
SMILESCCCCCCCCn1c2ccccc2c2ccc(C=O)cc21
InChIInChI=1S/C21H25NO/c1-2-3-4-5-6-9-14-22-20-11-8-7-10-18(20)19-13-12-17(16-23)15-21(19)22/h7-8,10-13,15-16H,2-6,9,14H2,1H3
InChIKeyQUVIIOGIOPUNFH-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.97
Rot. Bonds8

About 9-octylcarbazole-2-carbaldehyde

9-octylcarbazole-2-carbaldehyde (PubChem CID 71623415) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 9-octylcarbazole-2-carbaldehyde.

Molecular Properties

Compound Name9-octylcarbazole-2-carbaldehyde
PubChem CID71623415
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name9-octylcarbazole-2-carbaldehyde
SMILESCCCCCCCCn1c2ccccc2c2ccc(C=O)cc21
InChIInChI=1S/C21H25NO/c1-2-3-4-5-6-9-14-22-20-11-8-7-10-18(20)19-13-12-17(16-23)15-21(19)22/h7-8,10-13,15-16H,2-6,9,14H2,1H3
InChIKeyQUVIIOGIOPUNFH-UHFFFAOYSA-N
XLogP5.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-octylcarbazole-2-carbaldehyde?
The IUPAC name of 9-octylcarbazole-2-carbaldehyde (CID 71623415) is 9-octylcarbazole-2-carbaldehyde.
What is the SMILES notation for 9-octylcarbazole-2-carbaldehyde?
The canonical SMILES for 9-octylcarbazole-2-carbaldehyde is CCCCCCCCn1c2ccccc2c2ccc(C=O)cc21.
What is the InChIKey of 9-octylcarbazole-2-carbaldehyde?
The InChIKey is QUVIIOGIOPUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-3-4-5-6-9-14-22-20-11-8-7-10-18(20)19-13-12-17(16-23)15-21(19)22/h7-8,10-13,15-16H,2-6,9,14H2,1H3.
What are the key properties of 9-octylcarbazole-2-carbaldehyde?
9-octylcarbazole-2-carbaldehyde has a molecular weight of 307.44 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-octylcarbazole-2-carbaldehyde is sourced from PubChem (CID 71623415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).