1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole

C23H21NO — CID 24761243

IUPAC1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole
SMILESCC/C(=C/c1ccccc1)c1cccc2[nH]c3c(OC)cccc3c12
InChIInChI=1S/C23H21NO/c1-3-17(15-16-9-5-4-6-10-16)18-11-7-13-20-22(18)19-12-8-14-21(25-2)23(19)24-20/h4-15,24H,3H2,1-2H3/b17-15-
InChIKeyXASRPVBJOWQANP-ICFOKQHNSA-N
MW327.43 g/mol
LogP6.28
Rot. Bonds4

About 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole

1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole (PubChem CID 24761243) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole
PubChem CID24761243
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole
SMILESCC/C(=C/c1ccccc1)c1cccc2[nH]c3c(OC)cccc3c12
InChIInChI=1S/C23H21NO/c1-3-17(15-16-9-5-4-6-10-16)18-11-7-13-20-22(18)19-12-8-14-21(25-2)23(19)24-20/h4-15,24H,3H2,1-2H3/b17-15-
InChIKeyXASRPVBJOWQANP-ICFOKQHNSA-N
XLogP6.28
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole?
The IUPAC name of 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole (CID 24761243) is 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole.
What is the SMILES notation for 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole?
The canonical SMILES for 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole is CC/C(=C/c1ccccc1)c1cccc2[nH]c3c(OC)cccc3c12.
What is the InChIKey of 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole?
The InChIKey is XASRPVBJOWQANP-ICFOKQHNSA-N. The full InChI is InChI=1S/C23H21NO/c1-3-17(15-16-9-5-4-6-10-16)18-11-7-13-20-22(18)19-12-8-14-21(25-2)23(19)24-20/h4-15,24H,3H2,1-2H3/b17-15-.
What are the key properties of 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole?
1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole has a molecular weight of 327.43 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-[(Z)-1-phenylbut-1-en-2-yl]-9H-carbazole is sourced from PubChem (CID 24761243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).