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

C27H25Br2N3 — CID 59147599

IUPAC2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
SMILESCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C27H25Br2N3/c1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22/h7-18H,2-6H2,1H3
InChIKeyRQSSYSFMBKYLLU-UHFFFAOYSA-N
MW551.33 g/mol
LogP8.52
Rot. Bonds8

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

2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine (PubChem CID 59147599) has the molecular formula C27H25Br2N3 and a molecular weight of 551.33 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
PubChem CID59147599
Molecular FormulaC27H25Br2N3
Molecular Weight551.33 g/mol
Exact Mass549.04
IUPAC Name2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
SMILESCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C27H25Br2N3/c1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22/h7-18H,2-6H2,1H3
InChIKeyRQSSYSFMBKYLLU-UHFFFAOYSA-N
XLogP8.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.33
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
CID 90243397
3-(4-bromophenyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 2056306
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine (CID 59147599) is 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine is CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine?
The InChIKey is RQSSYSFMBKYLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Br2N3/c1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22/h7-18H,2-6H2,1H3.
What are the key properties of 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine?
2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine has a molecular weight of 551.33 g/mol, XLogP of 8.52, 8 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-hexylphenyl)-1,3,5-triazine is sourced from PubChem (CID 59147599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).