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

C24H27N3O4 — CID 54582849

IUPAC8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc([N+](=O)[O-])ccc3c1C2=O
InChIInChI=1S/C24H27N3O4/c1-5-26(6-2)11-12-31-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(27(29)30)13-20(18)25-23/h7-10,13-14,25H,5-6,11-12H2,1-4H3
InChIKeyMVSVXPQPZLRUGH-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.67
Rot. Bonds7

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

8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one (PubChem CID 54582849) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one
PubChem CID54582849
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc([N+](=O)[O-])ccc3c1C2=O
InChIInChI=1S/C24H27N3O4/c1-5-26(6-2)11-12-31-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(27(29)30)13-20(18)25-23/h7-10,13-14,25H,5-6,11-12H2,1-4H3
InChIKeyMVSVXPQPZLRUGH-UHFFFAOYSA-N
XLogP4.67
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one?
The IUPAC name of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one (CID 54582849) is 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc([N+](=O)[O-])ccc3c1C2=O.
What is the InChIKey of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one?
The InChIKey is MVSVXPQPZLRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-5-26(6-2)11-12-31-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(27(29)30)13-20(18)25-23/h7-10,13-14,25H,5-6,11-12H2,1-4H3.
What are the key properties of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one?
8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one has a molecular weight of 421.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-nitro-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 54582849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).