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

C32H21BrN4 — CID 154704675

IUPAC2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)n1
InChIInChI=1S/C32H21BrN4/c33-29-13-7-12-28(34-29)32-36-30(26-18-14-24(15-19-26)22-8-3-1-4-9-22)35-31(37-32)27-20-16-25(17-21-27)23-10-5-2-6-11-23/h1-21H
InChIKeyWWPRRJHHXMHDDP-UHFFFAOYSA-N
MW541.45 g/mol
LogP8.36
Rot. Bonds5

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

2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 154704675) has the molecular formula C32H21BrN4 and a molecular weight of 541.45 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID154704675
Molecular FormulaC32H21BrN4
Molecular Weight541.45 g/mol
Exact Mass540.09
IUPAC Name2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)n1
InChIInChI=1S/C32H21BrN4/c33-29-13-7-12-28(34-29)32-36-30(26-18-14-24(15-19-26)22-8-3-1-4-9-22)35-31(37-32)27-20-16-25(17-21-27)23-10-5-2-6-11-23/h1-21H
InChIKeyWWPRRJHHXMHDDP-UHFFFAOYSA-N
XLogP8.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.45
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine
CID 15531052
4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 122657844
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine
CID 132991958
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
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 154704675) is 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is Brc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)n1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is WWPRRJHHXMHDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN4/c33-29-13-7-12-28(34-29)32-36-30(26-18-14-24(15-19-26)22-8-3-1-4-9-22)35-31(37-32)27-20-16-25(17-21-27)23-10-5-2-6-11-23/h1-21H.
What are the key properties of 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 541.45 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 154704675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).