14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione

C20H15N3O2 — CID 12513435

IUPAC14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione
SMILESO=c1n(-c2ccccc2)c(=O)n2n1C1C=CC=CC3=C1C2C=CC=C3
InChIInChI=1S/C20H15N3O2/c24-19-21(15-10-2-1-3-11-15)20(25)23-17-13-7-5-9-14-8-4-6-12-16(18(14)17)22(19)23/h1-13,16-17H
InChIKeyPSOMPIRZRQVZRB-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.45
Rot. Bonds1

About 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione

14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione (PubChem CID 12513435) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione.

Molecular Properties

Compound Name14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione
PubChem CID12513435
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione
SMILESO=c1n(-c2ccccc2)c(=O)n2n1C1C=CC=CC3=C1C2C=CC=C3
InChIInChI=1S/C20H15N3O2/c24-19-21(15-10-2-1-3-11-15)20(25)23-17-13-7-5-9-14-8-4-6-12-16(18(14)17)22(19)23/h1-13,16-17H
InChIKeyPSOMPIRZRQVZRB-UHFFFAOYSA-N
XLogP2.45
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione?
The IUPAC name of 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione (CID 12513435) is 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione.
What is the SMILES notation for 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione?
The canonical SMILES for 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione is O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC=CC3=C1C2C=CC=C3.
What is the InChIKey of 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione?
The InChIKey is PSOMPIRZRQVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19-21(15-10-2-1-3-11-15)20(25)23-17-13-7-5-9-14-8-4-6-12-16(18(14)17)22(19)23/h1-13,16-17H.
What are the key properties of 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione?
14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione has a molecular weight of 329.36 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione is sourced from PubChem (CID 12513435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).