2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine

C32H20N4 — CID 118014045

IUPAC2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccncc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C32H20N4/c1-2-8-21(9-3-1)30-34-31(22-16-18-33-19-17-22)36-32(35-30)23-14-15-28-26-12-5-4-10-24(26)25-11-6-7-13-27(25)29(28)20-23/h1-20H
InChIKeyPJHCQJNOZCQCLY-UHFFFAOYSA-N
MW460.54 g/mol
LogP7.73
Rot. Bonds3

About 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine

2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 118014045) has the molecular formula C32H20N4 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine
PubChem CID118014045
Molecular FormulaC32H20N4
Molecular Weight460.54 g/mol
Exact Mass460.17
IUPAC Name2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccncc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C32H20N4/c1-2-8-21(9-3-1)30-34-31(22-16-18-33-19-17-22)36-32(35-30)23-14-15-28-26-12-5-4-10-24(26)25-11-6-7-13-27(25)29(28)20-23/h1-20H
InChIKeyPJHCQJNOZCQCLY-UHFFFAOYSA-N
XLogP7.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine (CID 118014045) is 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccncc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine?
The InChIKey is PJHCQJNOZCQCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4/c1-2-8-21(9-3-1)30-34-31(22-16-18-33-19-17-22)36-32(35-30)23-14-15-28-26-12-5-4-10-24(26)25-11-6-7-13-27(25)29(28)20-23/h1-20H.
What are the key properties of 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine?
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 460.54 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 118014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).