[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate

C28H30N2O2S — CID 172920003

IUPAC[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate
SMILESC=C(c1ccc2c(c1)c1cc(/C(C)=N/OC(C)=O)ccc1n2CCCCCC)c1cccs1
InChIInChI=1S/C28H30N2O2S/c1-5-6-7-8-15-30-26-13-11-22(19(2)28-10-9-16-33-28)17-24(26)25-18-23(12-14-27(25)30)20(3)29-32-21(4)31/h9-14,16-18H,2,5-8,15H2,1,3-4H3/b29-20+
InChIKeyPEMHZBAKYPBKBL-ZTKZIYFRSA-N
MW458.63 g/mol
LogP7.78
Rot. Bonds9

About [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate

[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate (PubChem CID 172920003) has the molecular formula C28H30N2O2S and a molecular weight of 458.63 g/mol. Its IUPAC name is [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate
PubChem CID172920003
Molecular FormulaC28H30N2O2S
Molecular Weight458.63 g/mol
Exact Mass458.20
IUPAC Name[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate
SMILESC=C(c1ccc2c(c1)c1cc(/C(C)=N/OC(C)=O)ccc1n2CCCCCC)c1cccs1
InChIInChI=1S/C28H30N2O2S/c1-5-6-7-8-15-30-26-13-11-22(19(2)28-10-9-16-33-28)17-24(26)25-18-23(12-14-27(25)30)20(3)29-32-21(4)31/h9-14,16-18H,2,5-8,15H2,1,3-4H3/b29-20+
InChIKeyPEMHZBAKYPBKBL-ZTKZIYFRSA-N
XLogP7.78
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate 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-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826
[1-(9-hexyl-6-nitrocarbazol-3-yl)ethylideneamino] acetate
CID 76678136
[1-(6-nitro-9-pentylcarbazol-3-yl)ethylideneamino] acetate
CID 76678117
[(E)-1-(6-nitro-9-propylcarbazol-3-yl)ethylideneamino] acetate;tridecane
CID 143707925
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] thiophene-2-carboxylate
CID 156846309
[(E)-1-[4-[3-[(Z)-N-acetyloxy-C-[(9Z)-9-acetyloxyimino-9-[9-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]phenyl]-6-(thiophene-2-carbonyl)carbazol-3-yl]nonyl]carbonimidoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]phenyl]ethylideneamino] acetate
CID 59271180
2-[3-[(2E)-2-acetyloxyiminopropanoyl]-6-(thiophene-2-carbonyl)carbazol-9-yl]ethyl acetate;[(E)-[2-[9-hexyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9-hexyl-6-(thiophene-2-carbonyl)carbazol-3-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] benzoate
CID 172950996
[1-[6-nitro-9-(2-octoxyethyl)carbazol-3-yl]ethylideneamino] acetate
CID 76678133
[9-(2-ethoxyethyl)-6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-thiophen-2-ylmethanone
CID 118109530
[9-(2-hydroxyethyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-thiophen-2-ylmethanone
CID 156761518
(E)-3-(9-hexylcarbazol-3-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 102452821
(E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine
CID 144852312

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate (CID 172920003) is [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate is C=C(c1ccc2c(c1)c1cc(/C(C)=N/OC(C)=O)ccc1n2CCCCCC)c1cccs1.
What is the InChIKey of [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate?
The InChIKey is PEMHZBAKYPBKBL-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H30N2O2S/c1-5-6-7-8-15-30-26-13-11-22(19(2)28-10-9-16-33-28)17-24(26)25-18-23(12-14-27(25)30)20(3)29-32-21(4)31/h9-14,16-18H,2,5-8,15H2,1,3-4H3/b29-20+.
What are the key properties of [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate?
[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate has a molecular weight of 458.63 g/mol, XLogP of 7.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 172920003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).