1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine

C15H11BrIN3 — CID 174896057

IUPAC1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine
SMILESBrc1cccc(I)c1.c1ccc(-c2ncncn2)cc1
InChIInChI=1S/C9H7N3.C6H4BrI/c1-2-4-8(5-3-1)9-11-6-10-7-12-9;7-5-2-1-3-6(8)4-5/h1-7H;1-4H
InChIKeyWWVGVUCCTWEYJX-UHFFFAOYSA-N
MW440.08 g/mol
LogP4.59
Rot. Bonds1

About 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine

1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine (PubChem CID 174896057) has the molecular formula C15H11BrIN3 and a molecular weight of 440.08 g/mol. Its IUPAC name is 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine
PubChem CID174896057
Molecular FormulaC15H11BrIN3
Molecular Weight440.08 g/mol
Exact Mass438.92
IUPAC Name1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine
SMILESBrc1cccc(I)c1.c1ccc(-c2ncncn2)cc1
InChIInChI=1S/C9H7N3.C6H4BrI/c1-2-4-8(5-3-1)9-11-6-10-7-12-9;7-5-2-1-3-6(8)4-5/h1-7H;1-4H
InChIKeyWWVGVUCCTWEYJX-UHFFFAOYSA-N
XLogP4.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.08
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene
CID 158985946
2-(3-bromophenyl)pyrimidine
CID 26967381
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
5-bromo-2-phenylpyrimidine
CID 14387745
1-bromo-3-phenylbenzene
CID 16449
benzonitrile;2-phenyl-1,3,5-triazine
CID 174883787
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine?
The IUPAC name of 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine (CID 174896057) is 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine.
What is the SMILES notation for 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine?
The canonical SMILES for 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine is Brc1cccc(I)c1.c1ccc(-c2ncncn2)cc1.
What is the InChIKey of 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine?
The InChIKey is WWVGVUCCTWEYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3.C6H4BrI/c1-2-4-8(5-3-1)9-11-6-10-7-12-9;7-5-2-1-3-6(8)4-5/h1-7H;1-4H.
What are the key properties of 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine?
1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine has a molecular weight of 440.08 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine is sourced from PubChem (CID 174896057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).