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

C25H27F3N2O2 — CID 66834629

IUPAC8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(F)(F)F)ccc3c1C2=O
InChIInChI=1S/C25H27F3N2O2/c1-5-30(6-2)11-12-32-16-8-10-17-19(14-16)24(3,4)23-21(22(17)31)18-9-7-15(25(26,27)28)13-20(18)29-23/h7-10,13-14,29H,5-6,11-12H2,1-4H3
InChIKeyQRXZICGUWXLTJM-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.78
Rot. Bonds6

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

8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one (PubChem CID 66834629) has the molecular formula C25H27F3N2O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one
PubChem CID66834629
Molecular FormulaC25H27F3N2O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(F)(F)F)ccc3c1C2=O
InChIInChI=1S/C25H27F3N2O2/c1-5-30(6-2)11-12-32-16-8-10-17-19(14-16)24(3,4)23-21(22(17)31)18-9-7-15(25(26,27)28)13-20(18)29-23/h7-10,13-14,29H,5-6,11-12H2,1-4H3
InChIKeyQRXZICGUWXLTJM-UHFFFAOYSA-N
XLogP5.78
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one?
The IUPAC name of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one (CID 66834629) is 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(F)(F)F)ccc3c1C2=O.
What is the InChIKey of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one?
The InChIKey is QRXZICGUWXLTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O2/c1-5-30(6-2)11-12-32-16-8-10-17-19(14-16)24(3,4)23-21(22(17)31)18-9-7-15(25(26,27)28)13-20(18)29-23/h7-10,13-14,29H,5-6,11-12H2,1-4H3.
What are the key properties of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one?
8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one has a molecular weight of 444.50 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 66834629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).