4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine

C24H26N2O — CID 25100072

IUPAC4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine
SMILESc1ccc(-c2cc3c(n2-c2ccccc2)CCC(N2CCOCC2)C3)cc1
InChIInChI=1S/C24H26N2O/c1-3-7-19(8-4-1)24-18-20-17-22(25-13-15-27-16-14-25)11-12-23(20)26(24)21-9-5-2-6-10-21/h1-10,18,22H,11-17H2
InChIKeyYXWLJSACMBJAHI-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.33
Rot. Bonds3

About 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine

4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine (PubChem CID 25100072) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine.

Molecular Properties

Compound Name4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine
PubChem CID25100072
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine
SMILESc1ccc(-c2cc3c(n2-c2ccccc2)CCC(N2CCOCC2)C3)cc1
InChIInChI=1S/C24H26N2O/c1-3-7-19(8-4-1)24-18-20-17-22(25-13-15-27-16-14-25)11-12-23(20)26(24)21-9-5-2-6-10-21/h1-10,18,22H,11-17H2
InChIKeyYXWLJSACMBJAHI-UHFFFAOYSA-N
XLogP4.33
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine 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 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine?
The IUPAC name of 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine (CID 25100072) is 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine.
What is the SMILES notation for 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine?
The canonical SMILES for 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine is c1ccc(-c2cc3c(n2-c2ccccc2)CCC(N2CCOCC2)C3)cc1.
What is the InChIKey of 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine?
The InChIKey is YXWLJSACMBJAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-7-19(8-4-1)24-18-20-17-22(25-13-15-27-16-14-25)11-12-23(20)26(24)21-9-5-2-6-10-21/h1-10,18,22H,11-17H2.
What are the key properties of 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine?
4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine has a molecular weight of 358.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-diphenyl-4,5,6,7-tetrahydroindol-5-yl)morpholine is sourced from PubChem (CID 25100072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).