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

C32H23N3OS — CID 146506338

IUPAC2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine
SMILESC1=CSCC(c2ccc(Oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)=C1
InChIInChI=1S/C32H23N3OS/c1-3-8-24(9-4-1)30-33-31(25-10-5-2-6-11-25)35-32(34-30)26-15-19-29(20-16-26)36-28-17-13-23(14-18-28)27-12-7-21-37-22-27/h1-21H,22H2
InChIKeyNLIMXZAXQMVLOP-UHFFFAOYSA-N
MW497.62 g/mol
LogP8.31
Rot. Bonds6

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

2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine (PubChem CID 146506338) has the molecular formula C32H23N3OS and a molecular weight of 497.62 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine
PubChem CID146506338
Molecular FormulaC32H23N3OS
Molecular Weight497.62 g/mol
Exact Mass497.16
IUPAC Name2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine
SMILESC1=CSCC(c2ccc(Oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)=C1
InChIInChI=1S/C32H23N3OS/c1-3-8-24(9-4-1)30-33-31(25-10-5-2-6-11-25)35-32(34-30)26-15-19-29(20-16-26)36-28-17-13-23(14-18-28)27-12-7-21-37-22-27/h1-21H,22H2
InChIKeyNLIMXZAXQMVLOP-UHFFFAOYSA-N
XLogP8.31
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine (CID 146506338) is 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine is C1=CSCC(c2ccc(Oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)=C1.
What is the InChIKey of 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine?
The InChIKey is NLIMXZAXQMVLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3OS/c1-3-8-24(9-4-1)30-33-31(25-10-5-2-6-11-25)35-32(34-30)26-15-19-29(20-16-26)36-28-17-13-23(14-18-28)27-12-7-21-37-22-27/h1-21H,22H2.
What are the key properties of 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine has a molecular weight of 497.62 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[4-(2H-thiopyran-3-yl)phenoxy]phenyl]-1,3,5-triazine is sourced from PubChem (CID 146506338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).