1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one

C27H27NO2 — CID 144844132

IUPAC1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
SMILESCCCCC(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C27H27NO2/c1-4-6-11-26(29)19-12-14-24-22(16-19)23-17-20(13-15-25(23)28(24)5-2)27(30)21-10-8-7-9-18(21)3/h7-10,12-17H,4-6,11H2,1-3H3
InChIKeyDJEXBKJSXNJJKJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.73
Rot. Bonds7

About 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one

1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one (PubChem CID 144844132) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
PubChem CID144844132
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
SMILESCCCCC(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C27H27NO2/c1-4-6-11-26(29)19-12-14-24-22(16-19)23-17-20(13-15-25(23)28(24)5-2)27(30)21-10-8-7-9-18(21)3/h7-10,12-17H,4-6,11H2,1-3H3
InChIKeyDJEXBKJSXNJJKJ-UHFFFAOYSA-N
XLogP6.73
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-en-1-one
CID 167229658
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
CID 138599036
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate
CID 123512640
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate
CID 88591610
(6-ethyl-3-hydroxyfuro[3,2-c]carbazol-9-yl)-(2-methylphenyl)methanone
CID 123567975
[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate
CID 76569446

Frequently Asked Questions

What is the IUPAC name of 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one?
The IUPAC name of 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one (CID 144844132) is 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one.
What is the SMILES notation for 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one?
The canonical SMILES for 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one is CCCCC(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.
What is the InChIKey of 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one?
The InChIKey is DJEXBKJSXNJJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-4-6-11-26(29)19-12-14-24-22(16-19)23-17-20(13-15-25(23)28(24)5-2)27(30)21-10-8-7-9-18(21)3/h7-10,12-17H,4-6,11H2,1-3H3.
What are the key properties of 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one?
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one has a molecular weight of 397.52 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one is sourced from PubChem (CID 144844132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).