6-bromo-9-hexylcarbazole-3-carbaldehyde

C19H20BrNO — CID 46201722

IUPAC6-bromo-9-hexylcarbazole-3-carbaldehyde
SMILESCCCCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21
InChIInChI=1S/C19H20BrNO/c1-2-3-4-5-10-21-18-8-6-14(13-22)11-16(18)17-12-15(20)7-9-19(17)21/h6-9,11-13H,2-5,10H2,1H3
InChIKeyMWSSITKJJCMPLS-UHFFFAOYSA-N
MW358.28 g/mol
LogP5.95
Rot. Bonds6

About 6-bromo-9-hexylcarbazole-3-carbaldehyde

6-bromo-9-hexylcarbazole-3-carbaldehyde (PubChem CID 46201722) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is 6-bromo-9-hexylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-9-hexylcarbazole-3-carbaldehyde
PubChem CID46201722
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name6-bromo-9-hexylcarbazole-3-carbaldehyde
SMILESCCCCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21
InChIInChI=1S/C19H20BrNO/c1-2-3-4-5-10-21-18-8-6-14(13-22)11-16(18)17-12-15(20)7-9-19(17)21/h6-9,11-13H,2-5,10H2,1H3
InChIKeyMWSSITKJJCMPLS-UHFFFAOYSA-N
XLogP5.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.28
LogP ≤ 55.95
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-hexylcarbazole-3-carbaldehyde?
The IUPAC name of 6-bromo-9-hexylcarbazole-3-carbaldehyde (CID 46201722) is 6-bromo-9-hexylcarbazole-3-carbaldehyde.
What is the SMILES notation for 6-bromo-9-hexylcarbazole-3-carbaldehyde?
The canonical SMILES for 6-bromo-9-hexylcarbazole-3-carbaldehyde is CCCCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21.
What is the InChIKey of 6-bromo-9-hexylcarbazole-3-carbaldehyde?
The InChIKey is MWSSITKJJCMPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c1-2-3-4-5-10-21-18-8-6-14(13-22)11-16(18)17-12-15(20)7-9-19(17)21/h6-9,11-13H,2-5,10H2,1H3.
What are the key properties of 6-bromo-9-hexylcarbazole-3-carbaldehyde?
6-bromo-9-hexylcarbazole-3-carbaldehyde has a molecular weight of 358.28 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-hexylcarbazole-3-carbaldehyde is sourced from PubChem (CID 46201722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).