8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one

C26H32N2O2 — CID 66835217

IUPAC8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1c(c3ccc(C)cc3n1C)C2=O
InChIInChI=1S/C26H32N2O2/c1-7-28(8-2)13-14-30-18-10-12-19-21(16-18)26(4,5)25-23(24(19)29)20-11-9-17(3)15-22(20)27(25)6/h9-12,15-16H,7-8,13-14H2,1-6H3
InChIKeySODPMSLYHFIVQC-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.08
Rot. Bonds6

About 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one

8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one (PubChem CID 66835217) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one
PubChem CID66835217
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1c(c3ccc(C)cc3n1C)C2=O
InChIInChI=1S/C26H32N2O2/c1-7-28(8-2)13-14-30-18-10-12-19-21(16-18)26(4,5)25-23(24(19)29)20-11-9-17(3)15-22(20)27(25)6/h9-12,15-16H,7-8,13-14H2,1-6H3
InChIKeySODPMSLYHFIVQC-UHFFFAOYSA-N
XLogP5.08
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one?
The IUPAC name of 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one (CID 66835217) is 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one.
What is the SMILES notation for 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one?
The canonical SMILES for 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1c(c3ccc(C)cc3n1C)C2=O.
What is the InChIKey of 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one?
The InChIKey is SODPMSLYHFIVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-7-28(8-2)13-14-30-18-10-12-19-21(16-18)26(4,5)25-23(24(19)29)20-11-9-17(3)15-22(20)27(25)6/h9-12,15-16H,7-8,13-14H2,1-6H3.
What are the key properties of 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one?
8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one has a molecular weight of 404.55 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethoxy]-3,5,6,6-tetramethylbenzo[b]carbazol-11-one is sourced from PubChem (CID 66835217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).