11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene

C21H17N3 — CID 86075337

IUPAC11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene
SMILESCc1nc2cc(-c3ccccc3)nn2c2c1CCc1ccccc1-2
InChIInChI=1S/C21H17N3/c1-14-17-12-11-15-7-5-6-10-18(15)21(17)24-20(22-14)13-19(23-24)16-8-3-2-4-9-16/h2-10,13H,11-12H2,1H3
InChIKeyJGGLHIWMNVMDGQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.47
Rot. Bonds1

About 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene

11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene (PubChem CID 86075337) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene.

Molecular Properties

Compound Name11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene
PubChem CID86075337
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene
SMILESCc1nc2cc(-c3ccccc3)nn2c2c1CCc1ccccc1-2
InChIInChI=1S/C21H17N3/c1-14-17-12-11-15-7-5-6-10-18(15)21(17)24-20(22-14)13-19(23-24)16-8-3-2-4-9-16/h2-10,13H,11-12H2,1H3
InChIKeyJGGLHIWMNVMDGQ-UHFFFAOYSA-N
XLogP4.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene?
The IUPAC name of 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene (CID 86075337) is 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene.
What is the SMILES notation for 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene?
The canonical SMILES for 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene is Cc1nc2cc(-c3ccccc3)nn2c2c1CCc1ccccc1-2.
What is the InChIKey of 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene?
The InChIKey is JGGLHIWMNVMDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-14-17-12-11-15-7-5-6-10-18(15)21(17)24-20(22-14)13-19(23-24)16-8-3-2-4-9-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene?
11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene has a molecular weight of 311.39 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene is sourced from PubChem (CID 86075337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).