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

C30H20N6O — CID 140904944

IUPAC2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ncncn5)cc4)cc3)n2)cc1
InChIInChI=1S/C30H20N6O/c1-3-7-21(8-4-1)28-34-29(22-9-5-2-6-10-22)36-30(35-28)24-13-17-26(18-14-24)37-25-15-11-23(12-16-25)27-32-19-31-20-33-27/h1-20H
InChIKeyVIJFHYWWVXPIKO-UHFFFAOYSA-N
MW480.53 g/mol
LogP6.52
Rot. Bonds6

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

2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine (PubChem CID 140904944) has the molecular formula C30H20N6O and a molecular weight of 480.53 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine
PubChem CID140904944
Molecular FormulaC30H20N6O
Molecular Weight480.53 g/mol
Exact Mass480.17
IUPAC Name2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ncncn5)cc4)cc3)n2)cc1
InChIInChI=1S/C30H20N6O/c1-3-7-21(8-4-1)28-34-29(22-9-5-2-6-10-22)36-30(35-28)24-13-17-26(18-14-24)37-25-15-11-23(12-16-25)27-32-19-31-20-33-27/h1-20H
InChIKeyVIJFHYWWVXPIKO-UHFFFAOYSA-N
XLogP6.52
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379
[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane
CID 134569765
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
benzonitrile;2-phenyl-1,3,5-triazine
CID 174883787
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine (CID 140904944) is 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ncncn5)cc4)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine?
The InChIKey is VIJFHYWWVXPIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6O/c1-3-7-21(8-4-1)28-34-29(22-9-5-2-6-10-22)36-30(35-28)24-13-17-26(18-14-24)37-25-15-11-23(12-16-25)27-32-19-31-20-33-27/h1-20H.
What are the key properties of 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine has a molecular weight of 480.53 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine is sourced from PubChem (CID 140904944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).