6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one

C19H13Br2NO2 — CID 143235078

IUPAC6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one
SMILESO=C1CCCc2c1n(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc21
InChIInChI=1S/C19H13Br2NO2/c20-12-6-4-11(5-7-12)19(24)22-16-9-8-13(21)10-15(16)14-2-1-3-17(23)18(14)22/h4-10H,1-3H2
InChIKeyLIWMAWZMAGALLA-UHFFFAOYSA-N
MW447.13 g/mol
LogP5.37
Rot. Bonds1

About 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one

6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one (PubChem CID 143235078) has the molecular formula C19H13Br2NO2 and a molecular weight of 447.13 g/mol. Its IUPAC name is 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one
PubChem CID143235078
Molecular FormulaC19H13Br2NO2
Molecular Weight447.13 g/mol
Exact Mass444.93
IUPAC Name6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one
SMILESO=C1CCCc2c1n(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc21
InChIInChI=1S/C19H13Br2NO2/c20-12-6-4-11(5-7-12)19(24)22-16-9-8-13(21)10-15(16)14-2-1-3-17(23)18(14)22/h4-10H,1-3H2
InChIKeyLIWMAWZMAGALLA-UHFFFAOYSA-N
XLogP5.37
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.13
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one
CID 11632677
9-acetyl-3,4-dihydro-2H-carbazol-1-one
CID 853608
7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 59267735
(NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
CID 5399879
3-(4-bromobenzoyl)-6-chloro-1,3-benzoxazol-2-one
CID 4541089
8-bromo-2,3-dihydro-1H-dibenzofuran-4-one
CID 10730368
2-(6-bromo-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)acetic acid
CID 11659807
6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole
CID 155934568
6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 11544068
6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one
CID 535444
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
2-(6-chloro-1-oxo-3,4-dihydro-2H-carbazol-9-yl)acetonitrile
CID 13217698

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one (CID 143235078) is 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one is O=C1CCCc2c1n(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc21.
What is the InChIKey of 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is LIWMAWZMAGALLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2NO2/c20-12-6-4-11(5-7-12)19(24)22-16-9-8-13(21)10-15(16)14-2-1-3-17(23)18(14)22/h4-10H,1-3H2.
What are the key properties of 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one?
6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 447.13 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 143235078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).