2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine

C42H28N4 — CID 175201640

IUPAC2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ncnc(-c4cc(-c5ccncc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C42H28N4/c1-3-9-29(10-4-1)30-15-17-33(18-16-30)41-44-28-45-42(46-41)36-26-34(31-21-23-43-24-22-31)25-35(27-36)38-20-19-37(32-11-5-2-6-12-32)39-13-7-8-14-40(38)39/h1-28H
InChIKeyHQUPMIHLFVTAIQ-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.42
Rot. Bonds6

About 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine

2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 175201640) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine
PubChem CID175201640
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ncnc(-c4cc(-c5ccncc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C42H28N4/c1-3-9-29(10-4-1)30-15-17-33(18-16-30)41-44-28-45-42(46-41)36-26-34(31-21-23-43-24-22-31)25-35(27-36)38-20-19-37(32-11-5-2-6-12-32)39-13-7-8-14-40(38)39/h1-28H
InChIKeyHQUPMIHLFVTAIQ-UHFFFAOYSA-N
XLogP10.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
4-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,6-diphenyl-4-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;4-[3-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 160785315
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 175213647
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
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-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036
4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine
CID 118583054

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine (CID 175201640) is 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3ncnc(-c4cc(-c5ccncc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is HQUPMIHLFVTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-3-9-29(10-4-1)30-15-17-33(18-16-30)41-44-28-45-42(46-41)36-26-34(31-21-23-43-24-22-31)25-35(27-36)38-20-19-37(32-11-5-2-6-12-32)39-13-7-8-14-40(38)39/h1-28H.
What are the key properties of 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine?
2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 588.71 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 175201640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).