2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine

C39H57N9 — CID 176842958

IUPAC2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C39H57N9/c1-34(2,3)28-40-25(41-29(46-28)35(4,5)6)22-19-23(26-42-30(36(7,8)9)47-31(43-26)37(10,11)12)21-24(20-22)27-44-32(38(13,14)15)48-33(45-27)39(16,17)18/h19-21H,1-18H3
InChIKeyVZOLDTWPSZBWHK-UHFFFAOYSA-N
MW651.95 g/mol
LogP9.03
Rot. Bonds3

About 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine

2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine (PubChem CID 176842958) has the molecular formula C39H57N9 and a molecular weight of 651.95 g/mol. Its IUPAC name is 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine
PubChem CID176842958
Molecular FormulaC39H57N9
Molecular Weight651.95 g/mol
Exact Mass651.47
IUPAC Name2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C39H57N9/c1-34(2,3)28-40-25(41-29(46-28)35(4,5)6)22-19-23(26-42-30(36(7,8)9)47-31(43-26)37(10,11)12)21-24(20-22)27-44-32(38(13,14)15)48-33(45-27)39(16,17)18/h19-21H,1-18H3
InChIKeyVZOLDTWPSZBWHK-UHFFFAOYSA-N
XLogP9.03
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.95
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842898
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-[4-[2-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]ethyl]phenyl]-1,3,5-triazine
CID 102108600
2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine
CID 176843193
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2,4-ditert-butyl-6-[3-isocyano-5-(1-methylpyrazol-3-yl)phenyl]-1,3,5-triazine
CID 140595738
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-tert-butyl-4-[3-[4-tert-butyl-6-[3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-6-(4-dimethylphosphorylphenyl)-1,3,5-triazine
CID 176843104
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-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
CID 176843202

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine (CID 176842958) is 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine is CC(C)(C)c1nc(-c2cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)cc(-c3nc(C(C)(C)C)nc(C(C)(C)C)n3)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine?
The InChIKey is VZOLDTWPSZBWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57N9/c1-34(2,3)28-40-25(41-29(46-28)35(4,5)6)22-19-23(26-42-30(36(7,8)9)47-31(43-26)37(10,11)12)21-24(20-22)27-44-32(38(13,14)15)48-33(45-27)39(16,17)18/h19-21H,1-18H3.
What are the key properties of 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine?
2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine has a molecular weight of 651.95 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-4,6-ditert-butyl-1,3,5-triazine is sourced from PubChem (CID 176842958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).