2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C32H21BrN4 — CID 155757980

IUPAC2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1
InChIInChI=1S/C32H21BrN4/c33-29-18-16-23(17-19-29)22-8-12-26(13-9-22)31-35-30(25-5-2-1-3-6-25)36-32(37-31)27-14-10-24(11-15-27)28-7-4-20-34-21-28/h1-21H
InChIKeyRXGFKVXVFNXKAZ-UHFFFAOYSA-N
MW541.45 g/mol
LogP8.36
Rot. Bonds5

About 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 155757980) has the molecular formula C32H21BrN4 and a molecular weight of 541.45 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID155757980
Molecular FormulaC32H21BrN4
Molecular Weight541.45 g/mol
Exact Mass540.09
IUPAC Name2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1
InChIInChI=1S/C32H21BrN4/c33-29-18-16-23(17-19-29)22-8-12-26(13-9-22)31-35-30(25-5-2-1-3-6-25)36-32(37-31)27-14-10-24(11-15-27)28-7-4-20-34-21-28/h1-21H
InChIKeyRXGFKVXVFNXKAZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 155757980) is 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is Brc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is RXGFKVXVFNXKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN4/c33-29-18-16-23(17-19-29)22-8-12-26(13-9-22)31-35-30(25-5-2-1-3-6-25)36-32(37-31)27-14-10-24(11-15-27)28-7-4-20-34-21-28/h1-21H.
What are the key properties of 2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-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-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155757980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).