3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole

C19H19Br2F2N3 — CID 11092135

IUPAC3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole
SMILESFC(F)(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H19Br2F2N3/c20-13-1-3-17-15(9-13)16-10-14(21)2-4-18(16)26(17)12-19(22,23)11-25-7-5-24-6-8-25/h1-4,9-10,24H,5-8,11-12H2
InChIKeyXDKXOLMRFOXRNM-UHFFFAOYSA-N
MW487.19 g/mol
LogP4.86
Rot. Bonds4

About 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole

3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole (PubChem CID 11092135) has the molecular formula C19H19Br2F2N3 and a molecular weight of 487.19 g/mol. Its IUPAC name is 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole
PubChem CID11092135
Molecular FormulaC19H19Br2F2N3
Molecular Weight487.19 g/mol
Exact Mass484.99
IUPAC Name3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole
SMILESFC(F)(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H19Br2F2N3/c20-13-1-3-17-15(9-13)16-10-14(21)2-4-18(16)26(17)12-19(22,23)11-25-7-5-24-6-8-25/h1-4,9-10,24H,5-8,11-12H2
InChIKeyXDKXOLMRFOXRNM-UHFFFAOYSA-N
XLogP4.86
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.19
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole (CID 11092135) is 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole is FC(F)(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole?
The InChIKey is XDKXOLMRFOXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2F2N3/c20-13-1-3-17-15(9-13)16-10-14(21)2-4-18(16)26(17)12-19(22,23)11-25-7-5-24-6-8-25/h1-4,9-10,24H,5-8,11-12H2.
What are the key properties of 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole?
3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole has a molecular weight of 487.19 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(2,2-difluoro-3-piperazin-1-ylpropyl)carbazole is sourced from PubChem (CID 11092135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).