2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine

C31H27N3S — CID 170273981

IUPAC2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cccc(Sc3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C31H27N3S/c1-31(2,3)30-33-28(24-15-10-14-23(20-24)22-12-6-4-7-13-22)32-29(34-30)25-16-11-19-27(21-25)35-26-17-8-5-9-18-26/h4-21H,1-3H3
InChIKeyFKIROBPJRNJLHS-UHFFFAOYSA-N
MW473.65 g/mol
LogP8.32
Rot. Bonds5

About 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine

2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine (PubChem CID 170273981) has the molecular formula C31H27N3S and a molecular weight of 473.65 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine
PubChem CID170273981
Molecular FormulaC31H27N3S
Molecular Weight473.65 g/mol
Exact Mass473.19
IUPAC Name2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cccc(Sc3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C31H27N3S/c1-31(2,3)30-33-28(24-15-10-14-23(20-24)22-12-6-4-7-13-22)32-29(34-30)25-16-11-19-27(21-25)35-26-17-8-5-9-18-26/h4-21H,1-3H3
InChIKeyFKIROBPJRNJLHS-UHFFFAOYSA-N
XLogP8.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.65
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113268
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113429
2,4-diphenyl-6-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]sulfanylphenyl]-1,3,5-triazine
CID 155049936
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-fluorophenyl)-1,3,5-triazine
CID 176842919
2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 168803765
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine (CID 170273981) is 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine is CC(C)(C)c1nc(-c2cccc(Sc3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine?
The InChIKey is FKIROBPJRNJLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3S/c1-31(2,3)30-33-28(24-15-10-14-23(20-24)22-12-6-4-7-13-22)32-29(34-30)25-16-11-19-27(21-25)35-26-17-8-5-9-18-26/h4-21H,1-3H3.
What are the key properties of 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine?
2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine has a molecular weight of 473.65 g/mol, XLogP of 8.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170273981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).