9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C28H28N2 — CID 15149422

IUPAC9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(CCN2C3CCC2c2c(n(Cc4ccccc4)c4ccccc24)C3)cc1
InChIInChI=1S/C28H28N2/c1-3-9-21(10-4-1)17-18-29-23-15-16-26(29)28-24-13-7-8-14-25(24)30(27(28)19-23)20-22-11-5-2-6-12-22/h1-14,23,26H,15-20H2
InChIKeyCIMSZEBDSUDLPA-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.99
Rot. Bonds5

About 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149422) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149422
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(CCN2C3CCC2c2c(n(Cc4ccccc4)c4ccccc24)C3)cc1
InChIInChI=1S/C28H28N2/c1-3-9-21(10-4-1)17-18-29-23-15-16-26(29)28-24-13-7-8-14-25(24)30(27(28)19-23)20-22-11-5-2-6-12-22/h1-14,23,26H,15-20H2
InChIKeyCIMSZEBDSUDLPA-UHFFFAOYSA-N
XLogP5.99
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene 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 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149422) is 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is c1ccc(CCN2C3CCC2c2c(n(Cc4ccccc4)c4ccccc24)C3)cc1.
What is the InChIKey of 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is CIMSZEBDSUDLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-3-9-21(10-4-1)17-18-29-23-15-16-26(29)28-24-13-7-8-14-25(24)30(27(28)19-23)20-22-11-5-2-6-12-22/h1-14,23,26H,15-20H2.
What are the key properties of 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 392.55 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).