6-bromo-9-octylcarbazole-3-carbaldehyde

C21H24BrNO — CID 139214598

IUPAC6-bromo-9-octylcarbazole-3-carbaldehyde
SMILESCCCCCCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21
InChIInChI=1S/C21H24BrNO/c1-2-3-4-5-6-7-12-23-20-10-8-16(15-24)13-18(20)19-14-17(22)9-11-21(19)23/h8-11,13-15H,2-7,12H2,1H3
InChIKeyZEZXRINZCCALGK-UHFFFAOYSA-N
MW386.33 g/mol
LogP6.73
Rot. Bonds8

About 6-bromo-9-octylcarbazole-3-carbaldehyde

6-bromo-9-octylcarbazole-3-carbaldehyde (PubChem CID 139214598) has the molecular formula C21H24BrNO and a molecular weight of 386.33 g/mol. Its IUPAC name is 6-bromo-9-octylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-9-octylcarbazole-3-carbaldehyde
PubChem CID139214598
Molecular FormulaC21H24BrNO
Molecular Weight386.33 g/mol
Exact Mass385.10
IUPAC Name6-bromo-9-octylcarbazole-3-carbaldehyde
SMILESCCCCCCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21
InChIInChI=1S/C21H24BrNO/c1-2-3-4-5-6-7-12-23-20-10-8-16(15-24)13-18(20)19-14-17(22)9-11-21(19)23/h8-11,13-15H,2-7,12H2,1H3
InChIKeyZEZXRINZCCALGK-UHFFFAOYSA-N
XLogP6.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 56.73
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 6-bromo-9-octylcarbazole-3-carbaldehyde?
The IUPAC name of 6-bromo-9-octylcarbazole-3-carbaldehyde (CID 139214598) is 6-bromo-9-octylcarbazole-3-carbaldehyde.
What is the SMILES notation for 6-bromo-9-octylcarbazole-3-carbaldehyde?
The canonical SMILES for 6-bromo-9-octylcarbazole-3-carbaldehyde is CCCCCCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21.
What is the InChIKey of 6-bromo-9-octylcarbazole-3-carbaldehyde?
The InChIKey is ZEZXRINZCCALGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNO/c1-2-3-4-5-6-7-12-23-20-10-8-16(15-24)13-18(20)19-14-17(22)9-11-21(19)23/h8-11,13-15H,2-7,12H2,1H3.
What are the key properties of 6-bromo-9-octylcarbazole-3-carbaldehyde?
6-bromo-9-octylcarbazole-3-carbaldehyde has a molecular weight of 386.33 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-octylcarbazole-3-carbaldehyde is sourced from PubChem (CID 139214598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).