2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine

C37H31N3 — CID 176647044

IUPAC2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)n1
InChIInChI=1S/C37H31N3/c1-37(2,3)36-39-34(30-21-17-28(18-22-30)26-11-6-4-7-12-26)38-35(40-36)31-23-19-29(20-24-31)33-16-10-15-32(25-33)27-13-8-5-9-14-27/h4-25H,1-3H3
InChIKeyWOXJDBZZVHWXLW-UHFFFAOYSA-N
MW517.68 g/mol
LogP9.50
Rot. Bonds5

About 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine

2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 176647044) has the molecular formula C37H31N3 and a molecular weight of 517.68 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID176647044
Molecular FormulaC37H31N3
Molecular Weight517.68 g/mol
Exact Mass517.25
IUPAC Name2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)n1
InChIInChI=1S/C37H31N3/c1-37(2,3)36-39-34(30-21-17-28(18-22-30)26-11-6-4-7-12-26)38-35(40-36)31-23-19-29(20-24-31)33-16-10-15-32(25-33)27-13-8-5-9-14-27/h4-25H,1-3H3
InChIKeyWOXJDBZZVHWXLW-UHFFFAOYSA-N
XLogP9.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
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-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
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-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 168803765
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
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-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-phenylphenyl)-6-(3-phenylsulfanylphenyl)-1,3,5-triazine
CID 170273981
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 176647044) is 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)n1.
What is the InChIKey of 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is WOXJDBZZVHWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3/c1-37(2,3)36-39-34(30-21-17-28(18-22-30)26-11-6-4-7-12-26)38-35(40-36)31-23-19-29(20-24-31)33-16-10-15-32(25-33)27-13-8-5-9-14-27/h4-25H,1-3H3.
What are the key properties of 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 517.68 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176647044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).