1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one

C24H30BrNO — CID 68792419

IUPAC1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc2c([nH]c3ccccc32)c1Br
InChIInChI=1S/C24H30BrNO/c1-2-3-4-5-6-7-8-9-10-15-22(27)20-17-16-19-18-13-11-12-14-21(18)26-24(19)23(20)25/h11-14,16-17,26H,2-10,15H2,1H3
InChIKeyLBNALZCUTPBXRG-UHFFFAOYSA-N
MW428.41 g/mol
LogP8.19
Rot. Bonds11

About 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one

1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one (PubChem CID 68792419) has the molecular formula C24H30BrNO and a molecular weight of 428.41 g/mol. Its IUPAC name is 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one.

Molecular Properties

Compound Name1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one
PubChem CID68792419
Molecular FormulaC24H30BrNO
Molecular Weight428.41 g/mol
Exact Mass427.15
IUPAC Name1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc2c([nH]c3ccccc32)c1Br
InChIInChI=1S/C24H30BrNO/c1-2-3-4-5-6-7-8-9-10-15-22(27)20-17-16-19-18-13-11-12-14-21(18)26-24(19)23(20)25/h11-14,16-17,26H,2-10,15H2,1H3
InChIKeyLBNALZCUTPBXRG-UHFFFAOYSA-N
XLogP8.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-carbazol-1-yl)heptan-1-one
CID 174653122
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
15-octyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 11155335
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-(3-bromo-2-chlorophenyl)nonan-1-one
CID 114966915
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2-bromofuran-3-yl)decan-1-one
CID 106856594

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one?
The IUPAC name of 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one (CID 68792419) is 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one.
What is the SMILES notation for 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one?
The canonical SMILES for 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one is CCCCCCCCCCCC(=O)c1ccc2c([nH]c3ccccc32)c1Br.
What is the InChIKey of 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one?
The InChIKey is LBNALZCUTPBXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrNO/c1-2-3-4-5-6-7-8-9-10-15-22(27)20-17-16-19-18-13-11-12-14-21(18)26-24(19)23(20)25/h11-14,16-17,26H,2-10,15H2,1H3.
What are the key properties of 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one?
1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one has a molecular weight of 428.41 g/mol, XLogP of 8.19, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-9H-carbazol-2-yl)dodecan-1-one is sourced from PubChem (CID 68792419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).