3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal

C23H19NO — CID 173162246

IUPAC3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
SMILESCCn1c2ccccc2c2cc(-c3ccc(C=CC=O)cc3)ccc21
InChIInChI=1S/C23H19NO/c1-2-24-22-8-4-3-7-20(22)21-16-19(13-14-23(21)24)18-11-9-17(10-12-18)6-5-15-25/h3-16H,2H2,1H3
InChIKeyPAHAIUMKYPSDBB-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.69
Rot. Bonds4

About 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal

3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal (PubChem CID 173162246) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal.

Molecular Properties

Compound Name3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
PubChem CID173162246
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
SMILESCCn1c2ccccc2c2cc(-c3ccc(C=CC=O)cc3)ccc21
InChIInChI=1S/C23H19NO/c1-2-24-22-8-4-3-7-20(22)21-16-19(13-14-23(21)24)18-11-9-17(10-12-18)6-5-15-25/h3-16H,2H2,1H3
InChIKeyPAHAIUMKYPSDBB-UHFFFAOYSA-N
XLogP5.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal 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

2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole
CID 118404920
(E)-3-(9-methylcarbazol-3-yl)prop-2-enal
CID 101182473
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
CID 126628470
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
9-ethyl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189334
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal?
The IUPAC name of 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal (CID 173162246) is 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal.
What is the SMILES notation for 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal?
The canonical SMILES for 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal is CCn1c2ccccc2c2cc(-c3ccc(C=CC=O)cc3)ccc21.
What is the InChIKey of 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal?
The InChIKey is PAHAIUMKYPSDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-2-24-22-8-4-3-7-20(22)21-16-19(13-14-23(21)24)18-11-9-17(10-12-18)6-5-15-25/h3-16H,2H2,1H3.
What are the key properties of 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal?
3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal has a molecular weight of 325.41 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal is sourced from PubChem (CID 173162246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).