2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline

C37H26N4O — CID 134223925

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline
SMILESc1ccc(COc2cccc3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc23)cc1
InChIInChI=1S/C37H26N4O/c1-4-12-26(13-5-1)25-42-33-21-11-18-27-22-23-32(38-34(27)33)30-19-10-20-31(24-30)37-40-35(28-14-6-2-7-15-28)39-36(41-37)29-16-8-3-9-17-29/h1-24H,25H2
InChIKeyJTNFYUGOLLGEFQ-UHFFFAOYSA-N
MW542.64 g/mol
LogP8.67
Rot. Bonds7

About 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline (PubChem CID 134223925) has the molecular formula C37H26N4O and a molecular weight of 542.64 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline
PubChem CID134223925
Molecular FormulaC37H26N4O
Molecular Weight542.64 g/mol
Exact Mass542.21
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline
SMILESc1ccc(COc2cccc3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc23)cc1
InChIInChI=1S/C37H26N4O/c1-4-12-26(13-5-1)25-42-33-21-11-18-27-22-23-32(38-34(27)33)30-19-10-20-31(24-30)37-40-35(28-14-6-2-7-15-28)39-36(41-37)29-16-8-3-9-17-29/h1-24H,25H2
InChIKeyJTNFYUGOLLGEFQ-UHFFFAOYSA-N
XLogP8.67
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline (CID 134223925) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline is c1ccc(COc2cccc3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc23)cc1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline?
The InChIKey is JTNFYUGOLLGEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4O/c1-4-12-26(13-5-1)25-42-33-21-11-18-27-22-23-32(38-34(27)33)30-19-10-20-31(24-30)37-40-35(28-14-6-2-7-15-28)39-36(41-37)29-16-8-3-9-17-29/h1-24H,25H2.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline has a molecular weight of 542.64 g/mol, XLogP of 8.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-phenylmethoxyquinoline is sourced from PubChem (CID 134223925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).