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

C49H33N5 — CID 156562939

IUPAC2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C49H33N5/c1-6-18-34(19-7-1)39-28-16-30-41(32-39)48-52-47(38-26-14-5-15-27-38)53-49(54-48)42-31-17-29-40(33-42)46-45(37-24-12-4-13-25-37)50-43(35-20-8-2-9-21-35)44(51-46)36-22-10-3-11-23-36/h1-33H
InChIKeyOILHKQCWPINUKJ-UHFFFAOYSA-N
MW691.84 g/mol
LogP12.00
Rot. Bonds8

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

2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine (PubChem CID 156562939) has the molecular formula C49H33N5 and a molecular weight of 691.84 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
PubChem CID156562939
Molecular FormulaC49H33N5
Molecular Weight691.84 g/mol
Exact Mass691.27
IUPAC Name2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C49H33N5/c1-6-18-34(19-7-1)39-28-16-30-41(32-39)48-52-47(38-26-14-5-15-27-38)53-49(54-48)42-31-17-29-40(33-42)46-45(37-24-12-4-13-25-37)50-43(35-20-8-2-9-21-35)44(51-46)36-22-10-3-11-23-36/h1-33H
InChIKeyOILHKQCWPINUKJ-UHFFFAOYSA-N
XLogP12.00
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-[3-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 151298818
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
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
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
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311586

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine (CID 156562939) is 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is OILHKQCWPINUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5/c1-6-18-34(19-7-1)39-28-16-30-41(32-39)48-52-47(38-26-14-5-15-27-38)53-49(54-48)42-31-17-29-40(33-42)46-45(37-24-12-4-13-25-37)50-43(35-20-8-2-9-21-35)44(51-46)36-22-10-3-11-23-36/h1-33H.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine?
2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 691.84 g/mol, XLogP of 12.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 156562939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).