3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole

C26H32Br2FN3 — CID 66742072

IUPAC3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole
SMILESFC(CN1CCN(CC2CCCCC2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C26H32Br2FN3/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)32(25)18-22(29)17-31-12-10-30(11-13-31)16-19-4-2-1-3-5-19/h6-9,14-15,19,22H,1-5,10-13,16-18H2
InChIKeyFBWBPFFZPJJSGX-UHFFFAOYSA-N
MW565.37 g/mol
LogP6.86
Rot. Bonds6

About 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole

3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole (PubChem CID 66742072) has the molecular formula C26H32Br2FN3 and a molecular weight of 565.37 g/mol. Its IUPAC name is 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole
PubChem CID66742072
Molecular FormulaC26H32Br2FN3
Molecular Weight565.37 g/mol
Exact Mass563.09
IUPAC Name3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole
SMILESFC(CN1CCN(CC2CCCCC2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C26H32Br2FN3/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)32(25)18-22(29)17-31-12-10-30(11-13-31)16-19-4-2-1-3-5-19/h6-9,14-15,19,22H,1-5,10-13,16-18H2
InChIKeyFBWBPFFZPJJSGX-UHFFFAOYSA-N
XLogP6.86
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.37
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
(S)-wiskostatin
CID 448668
3,6-Dibromo-9-(2-hydroxy-3-morpholinopropyl)carbazole
CID 567942
N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2840380
3,6-Dibromo-9-ethylcarbazole
CID 631855
4-Benzyl-12-bromo-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10,12,14-tetraene
CID 2843443
9-(4-Bromophenyl)carbazole
CID 22361390
3-{[4-(4-bromobenzyl)piperazin-1-yl]methyl}-9-ethyl-9H-carbazole
CID 1745029
1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol
CID 2729027
1-(3,6-Dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836156
6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2838378
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 2851937

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole?
The IUPAC name of 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole (CID 66742072) is 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole.
What is the SMILES notation for 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole?
The canonical SMILES for 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole is FC(CN1CCN(CC2CCCCC2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole?
The InChIKey is FBWBPFFZPJJSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Br2FN3/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)32(25)18-22(29)17-31-12-10-30(11-13-31)16-19-4-2-1-3-5-19/h6-9,14-15,19,22H,1-5,10-13,16-18H2.
What are the key properties of 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole?
3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole has a molecular weight of 565.37 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole is sourced from PubChem (CID 66742072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).