1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone

C25H23NO — CID 130181656

IUPAC1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone
SMILESCCn1c2ccc(C(C)=O)cc2c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C25H23NO/c1-5-26-23-11-10-16(15(2)27)12-19(23)20-13-22-18(14-24(20)26)17-8-6-7-9-21(17)25(22,3)4/h6-14H,5H2,1-4H3
InChIKeyWQTCCZCVKYZEGF-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.32
Rot. Bonds2

About 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone

1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone (PubChem CID 130181656) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone
PubChem CID130181656
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone
SMILESCCn1c2ccc(C(C)=O)cc2c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C25H23NO/c1-5-26-23-11-10-16(15(2)27)12-19(23)20-13-22-18(14-24(20)26)17-8-6-7-9-21(17)25(22,3)4/h6-14H,5H2,1-4H3
InChIKeyWQTCCZCVKYZEGF-UHFFFAOYSA-N
XLogP6.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone?
The IUPAC name of 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone (CID 130181656) is 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone is CCn1c2ccc(C(C)=O)cc2c2cc3c(cc21)-c1ccccc1C3(C)C.
What is the InChIKey of 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone?
The InChIKey is WQTCCZCVKYZEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-5-26-23-11-10-16(15(2)27)12-19(23)20-13-22-18(14-24(20)26)17-8-6-7-9-21(17)25(22,3)4/h6-14H,5H2,1-4H3.
What are the key properties of 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone?
1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone has a molecular weight of 353.47 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone is sourced from PubChem (CID 130181656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).