(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one

C27H25NO2 — CID 102199280

IUPAC(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one
SMILESCCCCn1c2ccccc2c2cc(C(=O)/C=C/c3ccc(C(C)=O)cc3)ccc21
InChIInChI=1S/C27H25NO2/c1-3-4-17-28-25-8-6-5-7-23(25)24-18-22(14-15-26(24)28)27(30)16-11-20-9-12-21(13-10-20)19(2)29/h5-16,18H,3-4,17H2,1-2H3/b16-11+
InChIKeySWLXLDOMDOTPNN-LFIBNONCSA-N
MW395.50 g/mol
LogP6.69
Rot. Bonds7

About (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one

(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one (PubChem CID 102199280) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one
PubChem CID102199280
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one
SMILESCCCCn1c2ccccc2c2cc(C(=O)/C=C/c3ccc(C(C)=O)cc3)ccc21
InChIInChI=1S/C27H25NO2/c1-3-4-17-28-25-8-6-5-7-23(25)24-18-22(14-15-26(24)28)27(30)16-11-20-9-12-21(13-10-20)19(2)29/h5-16,18H,3-4,17H2,1-2H3/b16-11+
InChIKeySWLXLDOMDOTPNN-LFIBNONCSA-N
XLogP6.69
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(6-acetyl-9-octylcarbazol-3-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 162660394
(E)-3-(9-hexylcarbazol-3-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 102452821
2-[(E)-1-(9-butylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enylidene]propanedinitrile
CID 139204547
1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
1-(9-methylcarbazol-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 3123837
3-(9-butylcarbazol-3-yl)prop-2-enenitrile
CID 174814508
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
1-butyl-4-hydroxy-3-(3-phenylprop-2-enoyl)quinolin-2-one
CID 54711057
(9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone
CID 19982331
(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
CID 71490478

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one (CID 102199280) is (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one is CCCCn1c2ccccc2c2cc(C(=O)/C=C/c3ccc(C(C)=O)cc3)ccc21.
What is the InChIKey of (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one?
The InChIKey is SWLXLDOMDOTPNN-LFIBNONCSA-N. The full InChI is InChI=1S/C27H25NO2/c1-3-4-17-28-25-8-6-5-7-23(25)24-18-22(14-15-26(24)28)27(30)16-11-20-9-12-21(13-10-20)19(2)29/h5-16,18H,3-4,17H2,1-2H3/b16-11+.
What are the key properties of (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one?
(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one has a molecular weight of 395.50 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 102199280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).