3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole

C21H16Br2FNO — CID 52916775

IUPAC3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole
SMILESFC(COc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H16Br2FNO/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)12-16(24)13-26-17-4-2-1-3-5-17/h1-11,16H,12-13H2
InChIKeyMTWHBGMDPDBUGJ-UHFFFAOYSA-N
MW477.17 g/mol
LogP6.74
Rot. Bonds5

About 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole

3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole (PubChem CID 52916775) has the molecular formula C21H16Br2FNO and a molecular weight of 477.17 g/mol. Its IUPAC name is 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole
PubChem CID52916775
Molecular FormulaC21H16Br2FNO
Molecular Weight477.17 g/mol
Exact Mass474.96
IUPAC Name3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole
SMILESFC(COc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H16Br2FNO/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)12-16(24)13-26-17-4-2-1-3-5-17/h1-11,16H,12-13H2
InChIKeyMTWHBGMDPDBUGJ-UHFFFAOYSA-N
XLogP6.74
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.17
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
CID 71253851
N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline;ethane
CID 144579386
CID 88582392
CID 88582392
2,3-difluoropropoxybenzene
CID 141126062
1-(3-bromo-6-isocyanocarbazol-9-yl)-3-(4-bromophenoxy)propan-2-ol
CID 123275514
3,6-dibromo-9-[2-fluoro-4-(6-methoxy-2-pyridinyl)butyl]carbazole
CID 158092978
N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-4-[2-(2-methoxyethoxy)ethoxy]aniline;methane
CID 158522948
(2-bromo-2-fluoroethoxy)benzene
CID 175098027
8-bromo-5-(2-hydroxy-3-phenoxypropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carbonitrile
CID 58065827
2-[4-[[3-(3-bromo-6-methylcarbazol-9-yl)-2-fluoropropyl]amino]phenoxy]-N,N-dimethylacetamide
CID 118069848
N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide
CID 58065850

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole (CID 52916775) is 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole is FC(COc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole?
The InChIKey is MTWHBGMDPDBUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2FNO/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)12-16(24)13-26-17-4-2-1-3-5-17/h1-11,16H,12-13H2.
What are the key properties of 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole?
3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole has a molecular weight of 477.17 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole is sourced from PubChem (CID 52916775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).