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

C33H21Br2N3 — CID 58526490

IUPAC2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine
SMILESBrc1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(Br)cc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C33H21Br2N3/c34-29-18-25(22-10-4-1-5-11-22)16-27(20-29)32-36-31(24-14-8-3-9-15-24)37-33(38-32)28-17-26(19-30(35)21-28)23-12-6-2-7-13-23/h1-21H
InChIKeyBCULSGYAMWZVEV-UHFFFAOYSA-N
MW619.36 g/mol
LogP9.73
Rot. Bonds5

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

2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 58526490) has the molecular formula C33H21Br2N3 and a molecular weight of 619.36 g/mol. Its IUPAC name is 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID58526490
Molecular FormulaC33H21Br2N3
Molecular Weight619.36 g/mol
Exact Mass617.01
IUPAC Name2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine
SMILESBrc1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(Br)cc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C33H21Br2N3/c34-29-18-25(22-10-4-1-5-11-22)16-27(20-29)32-36-31(24-14-8-3-9-15-24)37-33(38-32)28-17-26(19-30(35)21-28)23-12-6-2-7-13-23/h1-21H
InChIKeyBCULSGYAMWZVEV-UHFFFAOYSA-N
XLogP9.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.36
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine (CID 58526490) is 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine is Brc1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(Br)cc(-c4ccccc4)c3)n2)c1.
What is the InChIKey of 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is BCULSGYAMWZVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21Br2N3/c34-29-18-25(22-10-4-1-5-11-22)16-27(20-29)32-36-31(24-14-8-3-9-15-24)37-33(38-32)28-17-26(19-30(35)21-28)23-12-6-2-7-13-23/h1-21H.
What are the key properties of 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine?
2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 619.36 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-bromo-5-phenylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 58526490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).