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

C26H32N2O3 — CID 66834124

IUPAC8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1c(c3ccccc3n1CCO)C2=O
InChIInChI=1S/C26H32N2O3/c1-5-27(6-2)14-16-31-18-11-12-19-21(17-18)26(3,4)25-23(24(19)30)20-9-7-8-10-22(20)28(25)13-15-29/h7-12,17,29H,5-6,13-16H2,1-4H3
InChIKeyITUDNVZPCLBHQL-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.22
Rot. Bonds8

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

8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one (PubChem CID 66834124) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one
PubChem CID66834124
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1c(c3ccccc3n1CCO)C2=O
InChIInChI=1S/C26H32N2O3/c1-5-27(6-2)14-16-31-18-11-12-19-21(17-18)26(3,4)25-23(24(19)30)20-9-7-8-10-22(20)28(25)13-15-29/h7-12,17,29H,5-6,13-16H2,1-4H3
InChIKeyITUDNVZPCLBHQL-UHFFFAOYSA-N
XLogP4.22
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one?
The IUPAC name of 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one (CID 66834124) is 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one.
What is the SMILES notation for 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one?
The canonical SMILES for 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1c(c3ccccc3n1CCO)C2=O.
What is the InChIKey of 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one?
The InChIKey is ITUDNVZPCLBHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-5-27(6-2)14-16-31-18-11-12-19-21(17-18)26(3,4)25-23(24(19)30)20-9-7-8-10-22(20)28(25)13-15-29/h7-12,17,29H,5-6,13-16H2,1-4H3.
What are the key properties of 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one?
8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one has a molecular weight of 420.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethoxy]-5-(2-hydroxyethyl)-6,6-dimethylbenzo[b]carbazol-11-one is sourced from PubChem (CID 66834124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).