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

C51H67N3 — CID 157308201

IUPAC2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(-c2cccc(-c3nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C51H67N3/c1-46(2,3)37-23-34(24-38(29-37)47(4,5)6)32-20-19-21-33(22-32)43-52-44(35-25-39(48(7,8)9)30-40(26-35)49(10,11)12)54-45(53-43)36-27-41(50(13,14)15)31-42(28-36)51(16,17)18/h19-31H,1-18H3
InChIKeyPFVSDHNXUVJXDH-UHFFFAOYSA-N
MW722.12 g/mol
LogP14.32
Rot. Bonds4

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

2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine (PubChem CID 157308201) has the molecular formula C51H67N3 and a molecular weight of 722.12 g/mol. Its IUPAC name is 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine
PubChem CID157308201
Molecular FormulaC51H67N3
Molecular Weight722.12 g/mol
Exact Mass721.53
IUPAC Name2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(-c2cccc(-c3nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C51H67N3/c1-46(2,3)37-23-34(24-38(29-37)47(4,5)6)32-20-19-21-33(22-32)43-52-44(35-25-39(48(7,8)9)30-40(26-35)49(10,11)12)54-45(53-43)36-27-41(50(13,14)15)31-42(28-36)51(16,17)18/h19-31H,1-18H3
InChIKeyPFVSDHNXUVJXDH-UHFFFAOYSA-N
XLogP14.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.12
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-5-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160958371
2,6-bis(3,5-ditert-butylphenyl)-4-[3-(3,5-ditert-butylphenyl)phenyl]pyridine
CID 158776807
2-[3-(3,5-ditert-butylphenyl)phenyl]-4-(3-pyridin-3-ylphenyl)-6-(3-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 164834049
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
2,4-bis(3-tert-butylphenyl)-6-methyl-1,3,5-triazine
CID 168805959
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-[(E)-but-2-en-2-yl]-4-[3-(3,5-ditert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164834086
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-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine (CID 157308201) is 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine is CC(C)(C)c1cc(-c2cccc(-c3nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is PFVSDHNXUVJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H67N3/c1-46(2,3)37-23-34(24-38(29-37)47(4,5)6)32-20-19-21-33(22-32)43-52-44(35-25-39(48(7,8)9)30-40(26-35)49(10,11)12)54-45(53-43)36-27-41(50(13,14)15)31-42(28-36)51(16,17)18/h19-31H,1-18H3.
What are the key properties of 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine?
2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 722.12 g/mol, XLogP of 14.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 157308201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).