2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine

C23H17Br2N3 — CID 59510678

IUPAC2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3cccc(C)c3)nc(-c3cc(Br)cc(Br)c3)n2)c1
InChIInChI=1S/C23H17Br2N3/c1-14-5-3-7-16(9-14)21-26-22(17-8-4-6-15(2)10-17)28-23(27-21)18-11-19(24)13-20(25)12-18/h3-13H,1-2H3
InChIKeyOAUQBUPTBBJARC-UHFFFAOYSA-N
MW495.22 g/mol
LogP7.01
Rot. Bonds3

About 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine

2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine (PubChem CID 59510678) has the molecular formula C23H17Br2N3 and a molecular weight of 495.22 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine
PubChem CID59510678
Molecular FormulaC23H17Br2N3
Molecular Weight495.22 g/mol
Exact Mass492.98
IUPAC Name2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3cccc(C)c3)nc(-c3cc(Br)cc(Br)c3)n2)c1
InChIInChI=1S/C23H17Br2N3/c1-14-5-3-7-16(9-14)21-26-22(17-8-4-6-15(2)10-17)28-23(27-21)18-11-19(24)13-20(25)12-18/h3-13H,1-2H3
InChIKeyOAUQBUPTBBJARC-UHFFFAOYSA-N
XLogP7.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.22
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine (CID 59510678) is 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine is Cc1cccc(-c2nc(-c3cccc(C)c3)nc(-c3cc(Br)cc(Br)c3)n2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine?
The InChIKey is OAUQBUPTBBJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br2N3/c1-14-5-3-7-16(9-14)21-26-22(17-8-4-6-15(2)10-17)28-23(27-21)18-11-19(24)13-20(25)12-18/h3-13H,1-2H3.
What are the key properties of 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine?
2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine has a molecular weight of 495.22 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 59510678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).