2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine

C50H34N4 — CID 155595102

IUPAC2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccncc5)cc(-c5ccccc5-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C50H34N4/c1-4-12-35(13-5-1)37-20-24-41(25-21-37)48-52-49(42-26-22-38(23-27-42)36-14-6-2-7-15-36)54-50(53-48)45-33-43(39-28-30-51-31-29-39)32-44(34-45)47-19-11-10-18-46(47)40-16-8-3-9-17-40/h1-34H
InChIKeyHKJBUQDLSAAIRG-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.60
Rot. Bonds8

About 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine

2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine (PubChem CID 155595102) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
PubChem CID155595102
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccncc5)cc(-c5ccccc5-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C50H34N4/c1-4-12-35(13-5-1)37-20-24-41(25-21-37)48-52-49(42-26-22-38(23-27-42)36-14-6-2-7-15-36)54-50(53-48)45-33-43(39-28-30-51-31-29-39)32-44(34-45)47-19-11-10-18-46(47)40-16-8-3-9-17-40/h1-34H
InChIKeyHKJBUQDLSAAIRG-UHFFFAOYSA-N
XLogP12.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2,4-diphenyl-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 167534445
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 170691060
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796
2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine
CID 175201640
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2-[4-(2,5-diphenylphenyl)-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187499
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
4-[2-[4-(3,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyridine;2-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[2-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[4-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine;4-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 158423872
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine (CID 155595102) is 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccncc5)cc(-c5ccccc5-c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine?
The InChIKey is HKJBUQDLSAAIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-4-12-35(13-5-1)37-20-24-41(25-21-37)48-52-49(42-26-22-38(23-27-42)36-14-6-2-7-15-36)54-50(53-48)45-33-43(39-28-30-51-31-29-39)32-44(34-45)47-19-11-10-18-46(47)40-16-8-3-9-17-40/h1-34H.
What are the key properties of 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine?
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine has a molecular weight of 690.85 g/mol, XLogP of 12.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine is sourced from PubChem (CID 155595102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).