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

C35H34BrN3 — CID 67335182

IUPAC2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccc(Br)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C35H34BrN3/c1-34(2,3)28-17-11-26(12-18-28)32-37-31(25-9-7-23(8-10-25)24-15-21-30(36)22-16-24)38-33(39-32)27-13-19-29(20-14-27)35(4,5)6/h7-22H,1-6H3
InChIKeyXWKBCWUGNZLCSH-UHFFFAOYSA-N
MW576.58 g/mol
LogP9.90
Rot. Bonds4

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

2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine (PubChem CID 67335182) has the molecular formula C35H34BrN3 and a molecular weight of 576.58 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
PubChem CID67335182
Molecular FormulaC35H34BrN3
Molecular Weight576.58 g/mol
Exact Mass575.19
IUPAC Name2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccc(Br)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C35H34BrN3/c1-34(2,3)28-17-11-26(12-18-28)32-37-31(25-9-7-23(8-10-25)24-15-21-30(36)22-16-24)38-33(39-32)27-13-19-29(20-14-27)35(4,5)6/h7-22H,1-6H3
InChIKeyXWKBCWUGNZLCSH-UHFFFAOYSA-N
XLogP9.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.58
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine (CID 67335182) is 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccc(Br)cc4)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The InChIKey is XWKBCWUGNZLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34BrN3/c1-34(2,3)28-17-11-26(12-18-28)32-37-31(25-9-7-23(8-10-25)24-15-21-30(36)22-16-24)38-33(39-32)27-13-19-29(20-14-27)35(4,5)6/h7-22H,1-6H3.
What are the key properties of 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine has a molecular weight of 576.58 g/mol, XLogP of 9.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine is sourced from PubChem (CID 67335182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).