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

C27H18BrN3 — CID 139271713

IUPAC2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H18BrN3/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyUCMXYTLXSGHRMX-UHFFFAOYSA-N
MW464.37 g/mol
LogP7.30
Rot. Bonds4

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

2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 139271713) has the molecular formula C27H18BrN3 and a molecular weight of 464.37 g/mol. Its IUPAC name is 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID139271713
Molecular FormulaC27H18BrN3
Molecular Weight464.37 g/mol
Exact Mass463.07
IUPAC Name2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H18BrN3/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyUCMXYTLXSGHRMX-UHFFFAOYSA-N
XLogP7.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 139271713) is 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine is Brc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is UCMXYTLXSGHRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrN3/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 464.37 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139271713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).