15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C20H14N4 — CID 628232

IUPAC15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCc1nn2c(nnc3ccc4ccccc4c32)c1-c1ccccc1
InChIInChI=1S/C20H14N4/c1-13-18(15-8-3-2-4-9-15)20-22-21-17-12-11-14-7-5-6-10-16(14)19(17)24(20)23-13/h2-12H,1H3
InChIKeyLJQKDSXHDXQESG-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.41
Rot. Bonds1

About 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene

15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 628232) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID628232
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCc1nn2c(nnc3ccc4ccccc4c32)c1-c1ccccc1
InChIInChI=1S/C20H14N4/c1-13-18(15-8-3-2-4-9-15)20-22-21-17-12-11-14-7-5-6-10-16(14)19(17)24(20)23-13/h2-12H,1H3
InChIKeyLJQKDSXHDXQESG-UHFFFAOYSA-N
XLogP4.41
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 628232) is 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene is Cc1nn2c(nnc3ccc4ccccc4c32)c1-c1ccccc1.
What is the InChIKey of 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is LJQKDSXHDXQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-13-18(15-8-3-2-4-9-15)20-22-21-17-12-11-14-7-5-6-10-16(14)19(17)24(20)23-13/h2-12H,1H3.
What are the key properties of 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 310.36 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-14-phenyl-11,12,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 628232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).