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

C30H20N4O — CID 142622125

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol
SMILESOc1cccc2nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc12
InChIInChI=1S/C30H20N4O/c35-27-16-8-15-26-24(27)17-18-25(31-26)22-13-7-14-23(19-22)30-33-28(20-9-3-1-4-10-20)32-29(34-30)21-11-5-2-6-12-21/h1-19,35H
InChIKeyZTWFKRIQCHRUFW-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.79
Rot. Bonds4

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

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol (PubChem CID 142622125) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol
PubChem CID142622125
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol
SMILESOc1cccc2nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc12
InChIInChI=1S/C30H20N4O/c35-27-16-8-15-26-24(27)17-18-25(31-26)22-13-7-14-23(19-22)30-33-28(20-9-3-1-4-10-20)32-29(34-30)21-11-5-2-6-12-21/h1-19,35H
InChIKeyZTWFKRIQCHRUFW-UHFFFAOYSA-N
XLogP6.79
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.79
H-Bond Donors ≤ 51
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]quinolin-5-ol?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol (CID 142622125) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol is Oc1cccc2nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc12.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol?
The InChIKey is ZTWFKRIQCHRUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O/c35-27-16-8-15-26-24(27)17-18-25(31-26)22-13-7-14-23(19-22)30-33-28(20-9-3-1-4-10-20)32-29(34-30)21-11-5-2-6-12-21/h1-19,35H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-5-ol has a molecular weight of 452.52 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 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]quinolin-5-ol is sourced from PubChem (CID 142622125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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