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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Related Compounds

2,4-dipyridin-4-yl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 118014097
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
4-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 130267857
2-phenyl-4-(4-phenylphenyl)-6-[7-(5-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]-1,3,5-triazine
CID 134380984
2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 167580187
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-dipyridin-4-yl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 167542962
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149

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).