3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one

C24H27BrN2O2 — CID 54587776

IUPAC3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O
InChIInChI=1S/C24H27BrN2O2/c1-5-27(6-2)11-12-29-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(25)13-20(18)26-23/h7-10,13-14,26H,5-6,11-12H2,1-4H3
InChIKeyHRRHNBAOOLQDSJ-UHFFFAOYSA-N
MW455.40 g/mol
LogP5.52
Rot. Bonds6

About 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one

3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one (PubChem CID 54587776) has the molecular formula C24H27BrN2O2 and a molecular weight of 455.40 g/mol. Its IUPAC name is 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
PubChem CID54587776
Molecular FormulaC24H27BrN2O2
Molecular Weight455.40 g/mol
Exact Mass454.13
IUPAC Name3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O
InChIInChI=1S/C24H27BrN2O2/c1-5-27(6-2)11-12-29-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(25)13-20(18)26-23/h7-10,13-14,26H,5-6,11-12H2,1-4H3
InChIKeyHRRHNBAOOLQDSJ-UHFFFAOYSA-N
XLogP5.52
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one (CID 54587776) is 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O.
What is the InChIKey of 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is HRRHNBAOOLQDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O2/c1-5-27(6-2)11-12-29-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(25)13-20(18)26-23/h7-10,13-14,26H,5-6,11-12H2,1-4H3.
What are the key properties of 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 455.40 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 54587776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).