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

C30H20N4O — CID 71036747

IUPAC5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol
SMILESOc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2cccnc12
InChIInChI=1S/C30H20N4O/c35-26-17-16-24(25-15-8-18-31-27(25)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
InChIKeyOICYGCVTVWMVOB-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.79
Rot. Bonds4

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

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol (PubChem CID 71036747) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol
PubChem CID71036747
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol
SMILESOc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2cccnc12
InChIInChI=1S/C30H20N4O/c35-26-17-16-24(25-15-8-18-31-27(25)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
InChIKeyOICYGCVTVWMVOB-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 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol?
The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol (CID 71036747) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol.
What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol?
The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol is Oc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2cccnc12.
What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol?
The InChIKey is OICYGCVTVWMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O/c35-26-17-16-24(25-15-8-18-31-27(25)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 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol?
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-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 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol is sourced from PubChem (CID 71036747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).