2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol

C30H20N4O2 — CID 153304230

IUPAC2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(Oc3nccc4ccccc34)c2)n1
InChIInChI=1S/C30H20N4O2/c35-26-16-7-6-15-25(26)29-33-27(21-10-2-1-3-11-21)32-28(34-29)22-12-8-13-23(19-22)36-30-24-14-5-4-9-20(24)17-18-31-30/h1-19,35H
InChIKeyZBCDSOYMUREPOY-UHFFFAOYSA-N
MW468.52 g/mol
LogP6.92
Rot. Bonds5

About 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol

2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol (PubChem CID 153304230) has the molecular formula C30H20N4O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
PubChem CID153304230
Molecular FormulaC30H20N4O2
Molecular Weight468.52 g/mol
Exact Mass468.16
IUPAC Name2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(Oc3nccc4ccccc34)c2)n1
InChIInChI=1S/C30H20N4O2/c35-26-16-7-6-15-25(26)29-33-27(21-10-2-1-3-11-21)32-28(34-29)22-12-8-13-23(19-22)36-30-24-14-5-4-9-20(24)17-18-31-30/h1-19,35H
InChIKeyZBCDSOYMUREPOY-UHFFFAOYSA-N
XLogP6.92
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
2-dibenzofuran-1-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
CID 155049995
2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol
CID 136621403
2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum
CID 153304045
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280278
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 135975715
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 153280523
7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
CID 174288450
2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
CID 155050305
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol (CID 153304230) is 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol is Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(Oc3nccc4ccccc34)c2)n1.
What is the InChIKey of 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The InChIKey is ZBCDSOYMUREPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O2/c35-26-16-7-6-15-25(26)29-33-27(21-10-2-1-3-11-21)32-28(34-29)22-12-8-13-23(19-22)36-30-24-14-5-4-9-20(24)17-18-31-30/h1-19,35H.
What are the key properties of 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol has a molecular weight of 468.52 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 153304230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).