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

C30H31NO2 — CID 154285254

IUPAC1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
SMILESCCn1c2ccc(CC(=O)CC3CCCC3)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C30H31NO2/c1-3-31-28-14-12-22(17-24(32)16-21-9-5-6-10-21)18-26(28)27-19-23(13-15-29(27)31)30(33)25-11-7-4-8-20(25)2/h4,7-8,11-15,18-19,21H,3,5-6,9-10,16-17H2,1-2H3
InChIKeyJVOOKXHRUCDVEK-UHFFFAOYSA-N
MW437.58 g/mol
LogP7.05
Rot. Bonds7

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

1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one (PubChem CID 154285254) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
PubChem CID154285254
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Name1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
SMILESCCn1c2ccc(CC(=O)CC3CCCC3)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C30H31NO2/c1-3-31-28-14-12-22(17-24(32)16-21-9-5-6-10-21)18-26(28)27-19-23(13-15-29(27)31)30(33)25-11-7-4-8-20(25)2/h4,7-8,11-15,18-19,21H,3,5-6,9-10,16-17H2,1-2H3
InChIKeyJVOOKXHRUCDVEK-UHFFFAOYSA-N
XLogP7.05
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-nitrosopropan-2-one
CID 123356523
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 155166254
[(E)-[3-cyclopentyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-oxopropylidene]amino] benzoate
CID 141449161
[(E)-[3-cyclohexyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] benzoate
CID 145376485
[6-(1-cyclopentyl-1,2-dideuteriopropyl)-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 175797035
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 87223594
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
acetic acid;[6-[C-(1-cyclopentylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 160905901
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one?
The IUPAC name of 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one (CID 154285254) is 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one is CCn1c2ccc(CC(=O)CC3CCCC3)cc2c2cc(C(=O)c3ccccc3C)ccc21.
What is the InChIKey of 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one?
The InChIKey is JVOOKXHRUCDVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-3-31-28-14-12-22(17-24(32)16-21-9-5-6-10-21)18-26(28)27-19-23(13-15-29(27)31)30(33)25-11-7-4-8-20(25)2/h4,7-8,11-15,18-19,21H,3,5-6,9-10,16-17H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one?
1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one has a molecular weight of 437.58 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one is sourced from PubChem (CID 154285254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).