1,2-dibromo-9-hexylcarbazole

C18H19Br2N — CID 141427471

IUPAC1,2-dibromo-9-hexylcarbazole
SMILESCCCCCCn1c2ccccc2c2ccc(Br)c(Br)c21
InChIInChI=1S/C18H19Br2N/c1-2-3-4-7-12-21-16-9-6-5-8-13(16)14-10-11-15(19)17(20)18(14)21/h5-6,8-11H,2-4,7,12H2,1H3
InChIKeyWKSJFJQBTQFCRV-UHFFFAOYSA-N
MW409.17 g/mol
LogP6.90
Rot. Bonds5

About 1,2-dibromo-9-hexylcarbazole

1,2-dibromo-9-hexylcarbazole (PubChem CID 141427471) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is 1,2-dibromo-9-hexylcarbazole.

Molecular Properties

Compound Name1,2-dibromo-9-hexylcarbazole
PubChem CID141427471
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC Name1,2-dibromo-9-hexylcarbazole
SMILESCCCCCCn1c2ccccc2c2ccc(Br)c(Br)c21
InChIInChI=1S/C18H19Br2N/c1-2-3-4-7-12-21-16-9-6-5-8-13(16)14-10-11-15(19)17(20)18(14)21/h5-6,8-11H,2-4,7,12H2,1H3
InChIKeyWKSJFJQBTQFCRV-UHFFFAOYSA-N
XLogP6.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-9-heptadecylcarbazole
CID 174836685
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
1,2-dibromo-9-(2-ethylhexyl)carbazole
CID 90003854
benzene;9-octylcarbazole
CID 175067369
9-octylcarbazol-1-ol
CID 160567195
15-hexadecyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242745
15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242711
15-octyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242710
1-ethenyl-9-heptylcarbazole
CID 162355776
1-bromo-9-propylcarbazole
CID 141387102

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-9-hexylcarbazole?
The IUPAC name of 1,2-dibromo-9-hexylcarbazole (CID 141427471) is 1,2-dibromo-9-hexylcarbazole.
What is the SMILES notation for 1,2-dibromo-9-hexylcarbazole?
The canonical SMILES for 1,2-dibromo-9-hexylcarbazole is CCCCCCn1c2ccccc2c2ccc(Br)c(Br)c21.
What is the InChIKey of 1,2-dibromo-9-hexylcarbazole?
The InChIKey is WKSJFJQBTQFCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N/c1-2-3-4-7-12-21-16-9-6-5-8-13(16)14-10-11-15(19)17(20)18(14)21/h5-6,8-11H,2-4,7,12H2,1H3.
What are the key properties of 1,2-dibromo-9-hexylcarbazole?
1,2-dibromo-9-hexylcarbazole has a molecular weight of 409.17 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-9-hexylcarbazole is sourced from PubChem (CID 141427471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).