2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

C55H37N5 — CID 151298818

IUPAC2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c(-c7ccccc7)nc6-c6ccccc6)c5)c4)c3)n2)cc1
InChIInChI=1S/C55H37N5/c1-6-19-38(20-7-1)49-50(39-21-8-2-9-22-39)57-52(51(56-49)40-23-10-3-11-24-40)47-33-17-31-45(36-47)43-29-16-30-44(35-43)46-32-18-34-48(37-46)55-59-53(41-25-12-4-13-26-41)58-54(60-55)42-27-14-5-15-28-42/h1-37H
InChIKeyOBZJIHAWTFPIAA-UHFFFAOYSA-N
MW767.94 g/mol
LogP13.66
Rot. Bonds9

About 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 151298818) has the molecular formula C55H37N5 and a molecular weight of 767.94 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
PubChem CID151298818
Molecular FormulaC55H37N5
Molecular Weight767.94 g/mol
Exact Mass767.30
IUPAC Name2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c(-c7ccccc7)nc6-c6ccccc6)c5)c4)c3)n2)cc1
InChIInChI=1S/C55H37N5/c1-6-19-38(20-7-1)49-50(39-21-8-2-9-22-39)57-52(51(56-49)40-23-10-3-11-24-40)47-33-17-31-45(36-47)43-29-16-30-44(35-43)46-32-18-34-48(37-46)55-59-53(41-25-12-4-13-26-41)58-54(60-55)42-27-14-5-15-28-42/h1-37H
InChIKeyOBZJIHAWTFPIAA-UHFFFAOYSA-N
XLogP13.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.94
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 156562939
2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170781190
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
CID 175619331
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
2,4-diphenyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,5-triazine
CID 122470021
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (CID 151298818) is 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c(-c7ccccc7)nc6-c6ccccc6)c5)c4)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?
The InChIKey is OBZJIHAWTFPIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5/c1-6-19-38(20-7-1)49-50(39-21-8-2-9-22-39)57-52(51(56-49)40-23-10-3-11-24-40)47-33-17-31-45(36-47)43-29-16-30-44(35-43)46-32-18-34-48(37-46)55-59-53(41-25-12-4-13-26-41)58-54(60-55)42-27-14-5-15-28-42/h1-37H.
What are the key properties of 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 767.94 g/mol, XLogP of 13.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 151298818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).