3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole

C23H20Br2FNO — CID 58065819

IUPAC3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole
SMILESCOc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C23H20Br2FNO/c1-28-19-4-2-3-15(11-19)5-8-18(26)14-27-22-9-6-16(24)12-20(22)21-13-17(25)7-10-23(21)27/h2-4,6-7,9-13,18H,5,8,14H2,1H3
InChIKeyUZSZXRNGQMMUKH-UHFFFAOYSA-N
MW505.23 g/mol
LogP7.30
Rot. Bonds6

About 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole

3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole (PubChem CID 58065819) has the molecular formula C23H20Br2FNO and a molecular weight of 505.23 g/mol. Its IUPAC name is 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole
PubChem CID58065819
Molecular FormulaC23H20Br2FNO
Molecular Weight505.23 g/mol
Exact Mass502.99
IUPAC Name3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole
SMILESCOc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C23H20Br2FNO/c1-28-19-4-2-3-15(11-19)5-8-18(26)14-27-22-9-6-16(24)12-20(22)21-13-17(25)7-10-23(21)27/h2-4,6-7,9-13,18H,5,8,14H2,1H3
InChIKeyUZSZXRNGQMMUKH-UHFFFAOYSA-N
XLogP7.30
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.23
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole?
The IUPAC name of 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole (CID 58065819) is 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole.
What is the SMILES notation for 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole?
The canonical SMILES for 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole is COc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.
What is the InChIKey of 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole?
The InChIKey is UZSZXRNGQMMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Br2FNO/c1-28-19-4-2-3-15(11-19)5-8-18(26)14-27-22-9-6-16(24)12-20(22)21-13-17(25)7-10-23(21)27/h2-4,6-7,9-13,18H,5,8,14H2,1H3.
What are the key properties of 3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole?
3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole has a molecular weight of 505.23 g/mol, XLogP of 7.30, 6 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-4-(3-methoxyphenyl)butyl]carbazole is sourced from PubChem (CID 58065819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).