2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C27H17Br2N3 — CID 22721466

IUPAC2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C27H17Br2N3/c28-23-14-10-21(11-15-23)26-30-25(31-27(32-26)22-12-16-24(29)17-13-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17H
InChIKeyANQYZEJRYVDHBS-UHFFFAOYSA-N
MW543.26 g/mol
LogP8.06
Rot. Bonds4

About 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 22721466) has the molecular formula C27H17Br2N3 and a molecular weight of 543.26 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID22721466
Molecular FormulaC27H17Br2N3
Molecular Weight543.26 g/mol
Exact Mass540.98
IUPAC Name2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C27H17Br2N3/c28-23-14-10-21(11-15-23)26-30-25(31-27(32-26)22-12-16-24(29)17-13-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17H
InChIKeyANQYZEJRYVDHBS-UHFFFAOYSA-N
XLogP8.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.26
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 22721466) is 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine is Brc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is ANQYZEJRYVDHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Br2N3/c28-23-14-10-21(11-15-23)26-30-25(31-27(32-26)22-12-16-24(29)17-13-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17H.
What are the key properties of 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 543.26 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 22721466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).