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

C27H26N2O2 — CID 138599036

IUPAC1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
SMILES[H]/N=C(\CCC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C27H26N2O2/c1-4-8-23(28)27(31)19-12-14-25-22(16-19)21-15-18(11-13-24(21)29(25)5-2)26(30)20-10-7-6-9-17(20)3/h6-7,9-16,28H,4-5,8H2,1-3H3/b28-23+
InChIKeyUJLMZTDCYCBXJX-WEMUOSSPSA-N
MW410.52 g/mol
LogP6.36
Rot. Bonds7

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

1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one (PubChem CID 138599036) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one.

Molecular Properties

Compound Name1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
PubChem CID138599036
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one
SMILES[H]/N=C(\CCC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C27H26N2O2/c1-4-8-23(28)27(31)19-12-14-25-22(16-19)21-15-18(11-13-24(21)29(25)5-2)26(30)20-10-7-6-9-17(20)3/h6-7,9-16,28H,4-5,8H2,1-3H3/b28-23+
InChIKeyUJLMZTDCYCBXJX-WEMUOSSPSA-N
XLogP6.36
TPSA62.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
[9-ethyl-6-(5-phenylpent-4-ynimidoyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 143868624
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
(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]pent-4-en-1-one
CID 167229658
[6-[C-(2-cyclohexylethyl)-N-hydroxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 155166254
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
(6-ethyl-3-hydroxyfuro[3,2-c]carbazol-9-yl)-(2-methylphenyl)methanone
CID 123567975
[(E)-[4-cyclopropyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzoate
CID 118902031

Frequently Asked Questions

What is the IUPAC name of 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one?
The IUPAC name of 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one (CID 138599036) is 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one.
What is the SMILES notation for 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one?
The canonical SMILES for 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one is [H]/N=C(\CCC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.
What is the InChIKey of 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one?
The InChIKey is UJLMZTDCYCBXJX-WEMUOSSPSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-4-8-23(28)27(31)19-12-14-25-22(16-19)21-15-18(11-13-24(21)29(25)5-2)26(30)20-10-7-6-9-17(20)3/h6-7,9-16,28H,4-5,8H2,1-3H3/b28-23+.
What are the key properties of 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one?
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one has a molecular weight of 410.52 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-iminopentan-1-one is sourced from PubChem (CID 138599036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).