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

C49H45N3 — CID 141226985

IUPAC2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine
SMILESC=Cc1ccc(-c2ccccc2)c(-c2nc(-c3cc(C(C)(C)C)ccc3-c3ccccc3)nc(-c3cc(C(C)(C)C)ccc3-c3ccccc3)n2)c1
InChIInChI=1S/C49H45N3/c1-8-33-24-27-39(34-18-12-9-13-19-34)42(30-33)45-50-46(43-31-37(48(2,3)4)25-28-40(43)35-20-14-10-15-21-35)52-47(51-45)44-32-38(49(5,6)7)26-29-41(44)36-22-16-11-17-23-36/h8-32H,1H2,2-7H3
InChIKeyDBMUUWOIKNFXRE-UHFFFAOYSA-N
MW675.92 g/mol
LogP13.11
Rot. Bonds7

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

2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine (PubChem CID 141226985) has the molecular formula C49H45N3 and a molecular weight of 675.92 g/mol. Its IUPAC name is 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine
PubChem CID141226985
Molecular FormulaC49H45N3
Molecular Weight675.92 g/mol
Exact Mass675.36
IUPAC Name2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine
SMILESC=Cc1ccc(-c2ccccc2)c(-c2nc(-c3cc(C(C)(C)C)ccc3-c3ccccc3)nc(-c3cc(C(C)(C)C)ccc3-c3ccccc3)n2)c1
InChIInChI=1S/C49H45N3/c1-8-33-24-27-39(34-18-12-9-13-19-34)42(30-33)45-50-46(43-31-37(48(2,3)4)25-28-40(43)35-20-14-10-15-21-35)52-47(51-45)44-32-38(49(5,6)7)26-29-41(44)36-22-16-11-17-23-36/h8-32H,1H2,2-7H3
InChIKeyDBMUUWOIKNFXRE-UHFFFAOYSA-N
XLogP13.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.92
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine;2-(4-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158510464
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158211883
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
2-tert-butyl-4-(2,4-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 177113414
1-tert-butyl-4-ethenylbenzene
CID 15627
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
CID 121245405
6-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)azulene
CID 12023823
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2,10-ditert-butyltetraphenylene
CID 159208403

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine (CID 141226985) is 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine is C=Cc1ccc(-c2ccccc2)c(-c2nc(-c3cc(C(C)(C)C)ccc3-c3ccccc3)nc(-c3cc(C(C)(C)C)ccc3-c3ccccc3)n2)c1.
What is the InChIKey of 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine?
The InChIKey is DBMUUWOIKNFXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45N3/c1-8-33-24-27-39(34-18-12-9-13-19-34)42(30-33)45-50-46(43-31-37(48(2,3)4)25-28-40(43)35-20-14-10-15-21-35)52-47(51-45)44-32-38(49(5,6)7)26-29-41(44)36-22-16-11-17-23-36/h8-32H,1H2,2-7H3.
What are the key properties of 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine?
2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine has a molecular weight of 675.92 g/mol, XLogP of 13.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(5-tert-butyl-2-phenylphenyl)-6-(5-ethenyl-2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 141226985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).