2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C31H27N3 — CID 134252303

IUPAC2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C31H27N3/c1-31(2,3)27-20-18-26(19-21-27)30-33-28(24-12-8-5-9-13-24)32-29(34-30)25-16-14-23(15-17-25)22-10-6-4-7-11-22/h4-21H,1-3H3
InChIKeyZLOGPZBKWFNXSN-UHFFFAOYSA-N
MW441.58 g/mol
LogP7.84
Rot. Bonds4

About 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 134252303) has the molecular formula C31H27N3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID134252303
Molecular FormulaC31H27N3
Molecular Weight441.58 g/mol
Exact Mass441.22
IUPAC Name2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C31H27N3/c1-31(2,3)27-20-18-26(19-21-27)30-33-28(24-12-8-5-9-13-24)32-29(34-30)25-16-14-23(15-17-25)22-10-6-4-7-11-22/h4-21H,1-3H3
InChIKeyZLOGPZBKWFNXSN-UHFFFAOYSA-N
XLogP7.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
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(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
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
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
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335
2-tert-butyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenyl-1,3,5-triazine;2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159252272
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 134252303) is 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is ZLOGPZBKWFNXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3/c1-31(2,3)27-20-18-26(19-21-27)30-33-28(24-12-8-5-9-13-24)32-29(34-30)25-16-14-23(15-17-25)22-10-6-4-7-11-22/h4-21H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 441.58 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134252303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).