12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene

C19H11N3 — CID 24827850

IUPAC12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
SMILESc1ccc(-c2ncc3ccc4ncnc5ccc2c3c45)cc1
InChIInChI=1S/C19H11N3/c1-2-4-12(5-3-1)19-14-7-9-16-18-15(21-11-22-16)8-6-13(10-20-19)17(14)18/h1-11H
InChIKeyZNYQIVOXTQICSI-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.44
Rot. Bonds1

About 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene

12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene (PubChem CID 24827850) has the molecular formula C19H11N3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene.

Molecular Properties

Compound Name12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
PubChem CID24827850
Molecular FormulaC19H11N3
Molecular Weight281.32 g/mol
Exact Mass281.10
IUPAC Name12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
SMILESc1ccc(-c2ncc3ccc4ncnc5ccc2c3c45)cc1
InChIInChI=1S/C19H11N3/c1-2-4-12(5-3-1)19-14-7-9-16-18-15(21-11-22-16)8-6-13(10-20-19)17(14)18/h1-11H
InChIKeyZNYQIVOXTQICSI-UHFFFAOYSA-N
XLogP4.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The IUPAC name of 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene (CID 24827850) is 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene.
What is the SMILES notation for 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The canonical SMILES for 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene is c1ccc(-c2ncc3ccc4ncnc5ccc2c3c45)cc1.
What is the InChIKey of 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The InChIKey is ZNYQIVOXTQICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3/c1-2-4-12(5-3-1)19-14-7-9-16-18-15(21-11-22-16)8-6-13(10-20-19)17(14)18/h1-11H.
What are the key properties of 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene has a molecular weight of 281.32 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene is sourced from PubChem (CID 24827850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).