6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

C31H19N3 — CID 45278511

IUPAC6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
SMILESc1ccc(-c2nc3ccc4c(-c5ccccc5)nc(-c5ccccc5)c5ccc(n2)c3c45)cc1
InChIInChI=1S/C31H19N3/c1-4-10-20(11-5-1)29-23-16-18-25-28-26(33-31(32-25)22-14-8-3-9-15-22)19-17-24(27(23)28)30(34-29)21-12-6-2-7-13-21/h1-19H
InChIKeyFNKZQSKWPHYGFD-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.77
Rot. Bonds3

About 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene (PubChem CID 45278511) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene.

Molecular Properties

Compound Name6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
PubChem CID45278511
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
SMILESc1ccc(-c2nc3ccc4c(-c5ccccc5)nc(-c5ccccc5)c5ccc(n2)c3c45)cc1
InChIInChI=1S/C31H19N3/c1-4-10-20(11-5-1)29-23-16-18-25-28-26(33-31(32-25)22-14-8-3-9-15-22)19-17-24(27(23)28)30(34-29)21-12-6-2-7-13-21/h1-19H
InChIKeyFNKZQSKWPHYGFD-UHFFFAOYSA-N
XLogP7.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.77
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'}

Analyze 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene 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 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The IUPAC name of 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene (CID 45278511) is 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene.
What is the SMILES notation for 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The canonical SMILES for 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene is c1ccc(-c2nc3ccc4c(-c5ccccc5)nc(-c5ccccc5)c5ccc(n2)c3c45)cc1.
What is the InChIKey of 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The InChIKey is FNKZQSKWPHYGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c1-4-10-20(11-5-1)29-23-16-18-25-28-26(33-31(32-25)22-14-8-3-9-15-22)19-17-24(27(23)28)30(34-29)21-12-6-2-7-13-21/h1-19H.
What are the key properties of 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene has a molecular weight of 433.51 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene is sourced from PubChem (CID 45278511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).