6-bromo-9-butylcarbazole-3-carbaldehyde

C17H16BrNO — CID 135035710

IUPAC6-bromo-9-butylcarbazole-3-carbaldehyde
SMILESCCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21
InChIInChI=1S/C17H16BrNO/c1-2-3-8-19-16-6-4-12(11-20)9-14(16)15-10-13(18)5-7-17(15)19/h4-7,9-11H,2-3,8H2,1H3
InChIKeyHXWMFTCHLMOABT-UHFFFAOYSA-N
MW330.23 g/mol
LogP5.17
Rot. Bonds4

About 6-bromo-9-butylcarbazole-3-carbaldehyde

6-bromo-9-butylcarbazole-3-carbaldehyde (PubChem CID 135035710) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 6-bromo-9-butylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-9-butylcarbazole-3-carbaldehyde
PubChem CID135035710
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name6-bromo-9-butylcarbazole-3-carbaldehyde
SMILESCCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21
InChIInChI=1S/C17H16BrNO/c1-2-3-8-19-16-6-4-12(11-20)9-14(16)15-10-13(18)5-7-17(15)19/h4-7,9-11H,2-3,8H2,1H3
InChIKeyHXWMFTCHLMOABT-UHFFFAOYSA-N
XLogP5.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.23
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-9H-carbazole-3-carbaldehyde
CID 82055
1-((4-Bromophenyl)methyl)-1H-indole-3-carboxaldehyde
CID 699438
9-Methyl-9H-carbazole-3-carbaldehyde
CID 610666
2-(2-bromophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397336
4-[(8-bromo-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
CID 50898589
3,6-Diacetyl-9-ethylcarbazole
CID 622083
1-(3-bromobenzyl)-1H-indole-3-carbaldehyde
CID 3293897
(9-pentyl-9H-carbazol-3-yl)(piperidin-1-yl)methanone
CID 46871949
N,N-diethyl-9-pentyl-9H-carbazole-3-carboxamide
CID 56650683
(9-(3-(dimethylamino)propyl)-9H-carbazol-3-yl)(piperidin-1-yl)methanone
CID 56651353
[9-(3-Methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone
CID 56651354
(9-Pentylcarbazol-3-yl)-phenylmethanone
CID 56651356

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-butylcarbazole-3-carbaldehyde?
The IUPAC name of 6-bromo-9-butylcarbazole-3-carbaldehyde (CID 135035710) is 6-bromo-9-butylcarbazole-3-carbaldehyde.
What is the SMILES notation for 6-bromo-9-butylcarbazole-3-carbaldehyde?
The canonical SMILES for 6-bromo-9-butylcarbazole-3-carbaldehyde is CCCCn1c2ccc(Br)cc2c2cc(C=O)ccc21.
What is the InChIKey of 6-bromo-9-butylcarbazole-3-carbaldehyde?
The InChIKey is HXWMFTCHLMOABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-2-3-8-19-16-6-4-12(11-20)9-14(16)15-10-13(18)5-7-17(15)19/h4-7,9-11H,2-3,8H2,1H3.
What are the key properties of 6-bromo-9-butylcarbazole-3-carbaldehyde?
6-bromo-9-butylcarbazole-3-carbaldehyde has a molecular weight of 330.23 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-butylcarbazole-3-carbaldehyde is sourced from PubChem (CID 135035710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).