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

C37H24ClN5 — CID 170781190

IUPAC2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)nc1-c1ccccc1
InChIInChI=1S/C37H24ClN5/c38-34-33(26-16-7-2-8-17-26)39-32(31(40-34)25-14-5-1-6-15-25)29-22-13-23-30(24-29)37-42-35(27-18-9-3-10-19-27)41-36(43-37)28-20-11-4-12-21-28/h1-24H
InChIKeyTWHKEDXMCPYNNH-UHFFFAOYSA-N
MW574.09 g/mol
LogP9.32
Rot. Bonds6

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

2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 170781190) has the molecular formula C37H24ClN5 and a molecular weight of 574.09 g/mol. Its IUPAC name is 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID170781190
Molecular FormulaC37H24ClN5
Molecular Weight574.09 g/mol
Exact Mass573.17
IUPAC Name2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)nc1-c1ccccc1
InChIInChI=1S/C37H24ClN5/c38-34-33(26-16-7-2-8-17-26)39-32(31(40-34)25-14-5-1-6-15-25)29-22-13-23-30(24-29)37-42-35(27-18-9-3-10-19-27)41-36(43-37)28-20-11-4-12-21-28/h1-24H
InChIKeyTWHKEDXMCPYNNH-UHFFFAOYSA-N
XLogP9.32
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.09
LogP ≤ 59.32
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-phenyl-4-(3-phenylphenyl)-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 156562939
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-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 170781190) is 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)nc1-c1ccccc1.
What is the InChIKey of 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is TWHKEDXMCPYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24ClN5/c38-34-33(26-16-7-2-8-17-26)39-32(31(40-34)25-14-5-1-6-15-25)29-22-13-23-30(24-29)37-42-35(27-18-9-3-10-19-27)41-36(43-37)28-20-11-4-12-21-28/h1-24H.
What are the key properties of 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 574.09 g/mol, XLogP of 9.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170781190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).