5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole

C31H43NO — CID 54558479

IUPAC5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole
SMILESCCCCCCCCCCCCC1C=CC(OCc2ccccc2)=c2[nH]c3c(c21)CCCC=3
InChIInChI=1S/C31H43NO/c1-2-3-4-5-6-7-8-9-10-14-19-26-22-23-29(33-24-25-17-12-11-13-18-25)31-30(26)27-20-15-16-21-28(27)32-31/h11-13,17-18,21-23,26,32H,2-10,14-16,19-20,24H2,1H3
InChIKeyZOWCELVLLUBZIO-UHFFFAOYSA-N
MW445.69 g/mol
LogP7.42
Rot. Bonds14

About 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole

5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole (PubChem CID 54558479) has the molecular formula C31H43NO and a molecular weight of 445.69 g/mol. Its IUPAC name is 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole.

Molecular Properties

Compound Name5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole
PubChem CID54558479
Molecular FormulaC31H43NO
Molecular Weight445.69 g/mol
Exact Mass445.33
IUPAC Name5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole
SMILESCCCCCCCCCCCCC1C=CC(OCc2ccccc2)=c2[nH]c3c(c21)CCCC=3
InChIInChI=1S/C31H43NO/c1-2-3-4-5-6-7-8-9-10-14-19-26-22-23-29(33-24-25-17-12-11-13-18-25)31-30(26)27-20-15-16-21-28(27)32-31/h11-13,17-18,21-23,26,32H,2-10,14-16,19-20,24H2,1H3
InChIKeyZOWCELVLLUBZIO-UHFFFAOYSA-N
XLogP7.42
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-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 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole?
The IUPAC name of 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole (CID 54558479) is 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole.
What is the SMILES notation for 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole?
The canonical SMILES for 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole is CCCCCCCCCCCCC1C=CC(OCc2ccccc2)=c2[nH]c3c(c21)CCCC=3.
What is the InChIKey of 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole?
The InChIKey is ZOWCELVLLUBZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43NO/c1-2-3-4-5-6-7-8-9-10-14-19-26-22-23-29(33-24-25-17-12-11-13-18-25)31-30(26)27-20-15-16-21-28(27)32-31/h11-13,17-18,21-23,26,32H,2-10,14-16,19-20,24H2,1H3.
What are the key properties of 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole?
5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole has a molecular weight of 445.69 g/mol, XLogP of 7.42, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-8-phenylmethoxy-3,4,5,9-tetrahydro-2H-carbazole is sourced from PubChem (CID 54558479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).