2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine

C51H51N3 — CID 58250718

IUPAC2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESCCC(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C(C)CC)cc5)cc4)nc(-c4ccc(-c5ccc(C(C)CC)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C51H51N3/c1-7-34(4)37-10-16-40(17-11-37)43-22-28-46(29-23-43)49-52-50(47-30-24-44(25-31-47)41-18-12-38(13-19-41)35(5)8-2)54-51(53-49)48-32-26-45(27-33-48)42-20-14-39(15-21-42)36(6)9-3/h10-36H,7-9H2,1-6H3
InChIKeyDUJNIGNDYRXFBN-UHFFFAOYSA-N
MW705.99 g/mol
LogP14.41
Rot. Bonds12

About 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine

2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 58250718) has the molecular formula C51H51N3 and a molecular weight of 705.99 g/mol. Its IUPAC name is 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID58250718
Molecular FormulaC51H51N3
Molecular Weight705.99 g/mol
Exact Mass705.41
IUPAC Name2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESCCC(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C(C)CC)cc5)cc4)nc(-c4ccc(-c5ccc(C(C)CC)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C51H51N3/c1-7-34(4)37-10-16-40(17-11-37)43-22-28-46(29-23-43)49-52-50(47-30-24-44(25-31-47)41-18-12-38(13-19-41)35(5)8-2)54-51(53-49)48-32-26-45(27-33-48)42-20-14-39(15-21-42)36(6)9-3/h10-36H,7-9H2,1-6H3
InChIKeyDUJNIGNDYRXFBN-UHFFFAOYSA-N
XLogP14.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.99
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
CID 63424435
2-butan-2-yl-4,6-diphenyl-1,3,5-triazine
CID 23399466
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 58602181
3-[4-[(2S)-butan-2-yl]phenyl]-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
CID 126434921
3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine
CID 157019762
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930
2-[3,5-bis[5-(4-butan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-butan-2-ylphenyl)-1,3,4-oxadiazole
CID 59882736

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine (CID 58250718) is 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine is CCC(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C(C)CC)cc5)cc4)nc(-c4ccc(-c5ccc(C(C)CC)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is DUJNIGNDYRXFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51N3/c1-7-34(4)37-10-16-40(17-11-37)43-22-28-46(29-23-43)49-52-50(47-30-24-44(25-31-47)41-18-12-38(13-19-41)35(5)8-2)54-51(53-49)48-32-26-45(27-33-48)42-20-14-39(15-21-42)36(6)9-3/h10-36H,7-9H2,1-6H3.
What are the key properties of 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine?
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 705.99 g/mol, XLogP of 14.41, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 58250718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).