3-(3-bromopropyl)-9H-carbazole

C15H14BrN — CID 174889385

IUPAC3-(3-bromopropyl)-9H-carbazole
SMILESBrCCCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C15H14BrN/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15/h1-2,5-8,10,17H,3-4,9H2
InChIKeyUVRFRMIJMRJIFP-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.65
Rot. Bonds3

About 3-(3-bromopropyl)-9H-carbazole

3-(3-bromopropyl)-9H-carbazole (PubChem CID 174889385) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-(3-bromopropyl)-9H-carbazole.

Molecular Properties

Compound Name3-(3-bromopropyl)-9H-carbazole
PubChem CID174889385
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name3-(3-bromopropyl)-9H-carbazole
SMILESBrCCCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C15H14BrN/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15/h1-2,5-8,10,17H,3-4,9H2
InChIKeyUVRFRMIJMRJIFP-UHFFFAOYSA-N
XLogP4.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(9H-carbazol-3-yl)ethyl]-9H-carbazole
CID 123609825
2-[2-(9H-carbazol-3-yl)ethyl]guanidine
CID 145315534
9H-carbazol-3-ylmethanamine
CID 42281639
2-dodecyl-9H-carbazole
CID 21248548
10-tetradecyl-7H-benzo[c]carbazole
CID 4557971
2-[2-(9H-carbazol-3-yl)ethoxy]-N-methylethanamine
CID 65303088
N-(9H-carbazol-3-ylmethyl)-N-phenylaniline
CID 139544092
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropyl)-9H-carbazole?
The IUPAC name of 3-(3-bromopropyl)-9H-carbazole (CID 174889385) is 3-(3-bromopropyl)-9H-carbazole.
What is the SMILES notation for 3-(3-bromopropyl)-9H-carbazole?
The canonical SMILES for 3-(3-bromopropyl)-9H-carbazole is BrCCCc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-(3-bromopropyl)-9H-carbazole?
The InChIKey is UVRFRMIJMRJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15/h1-2,5-8,10,17H,3-4,9H2.
What are the key properties of 3-(3-bromopropyl)-9H-carbazole?
3-(3-bromopropyl)-9H-carbazole has a molecular weight of 288.19 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropyl)-9H-carbazole is sourced from PubChem (CID 174889385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).