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

C37H31N3 — CID 177113619

IUPAC2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C37H31N3/c1-37(2,3)36-39-34(30-21-13-20-29(22-30)26-14-7-4-8-15-26)38-35(40-36)33-24-31(27-16-9-5-10-17-27)23-32(25-33)28-18-11-6-12-19-28/h4-25H,1-3H3
InChIKeyUXIRRTHXSHZZOP-UHFFFAOYSA-N
MW517.68 g/mol
LogP9.50
Rot. Bonds5

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

2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 177113619) has the molecular formula C37H31N3 and a molecular weight of 517.68 g/mol. Its IUPAC name is 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID177113619
Molecular FormulaC37H31N3
Molecular Weight517.68 g/mol
Exact Mass517.25
IUPAC Name2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C37H31N3/c1-37(2,3)36-39-34(30-21-13-20-29(22-30)26-14-7-4-8-15-26)38-35(40-36)33-24-31(27-16-9-5-10-17-27)23-32(25-33)28-18-11-6-12-19-28/h4-25H,1-3H3
InChIKeyUXIRRTHXSHZZOP-UHFFFAOYSA-N
XLogP9.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(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-(3-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine
CID 170273981
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-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606668
2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702
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-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 177113619) is 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is UXIRRTHXSHZZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3/c1-37(2,3)36-39-34(30-21-13-20-29(22-30)26-14-7-4-8-15-26)38-35(40-36)33-24-31(27-16-9-5-10-17-27)23-32(25-33)28-18-11-6-12-19-28/h4-25H,1-3H3.
What are the key properties of 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 517.68 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177113619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).