2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine

C32H19BrN4O — CID 150429828

IUPAC2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
SMILESBrc1cc(-c2cccnc2)cc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1
InChIInChI=1S/C32H19BrN4O/c33-25-16-23(22-9-6-14-34-19-22)15-24(17-25)32-36-30(20-7-2-1-3-8-20)35-31(37-32)21-12-13-29-27(18-21)26-10-4-5-11-28(26)38-29/h1-19H
InChIKeyHJNZBBDAQAHUDN-UHFFFAOYSA-N
MW555.44 g/mol
LogP8.60
Rot. Bonds4

About 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine

2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 150429828) has the molecular formula C32H19BrN4O and a molecular weight of 555.44 g/mol. Its IUPAC name is 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
PubChem CID150429828
Molecular FormulaC32H19BrN4O
Molecular Weight555.44 g/mol
Exact Mass554.07
IUPAC Name2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
SMILESBrc1cc(-c2cccnc2)cc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1
InChIInChI=1S/C32H19BrN4O/c33-25-16-23(22-9-6-14-34-19-22)15-24(17-25)32-36-30(20-7-2-1-3-8-20)35-31(37-32)21-12-13-29-27(18-21)26-10-4-5-11-28(26)38-29/h1-19H
InChIKeyHJNZBBDAQAHUDN-UHFFFAOYSA-N
XLogP8.60
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.44
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 155203519
2-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 147699300
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 147753692
2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708586
2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine
CID 154950048
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 158843888
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
CID 156754970
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine (CID 150429828) is 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine is Brc1cc(-c2cccnc2)cc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1.
What is the InChIKey of 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is HJNZBBDAQAHUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19BrN4O/c33-25-16-23(22-9-6-14-34-19-22)15-24(17-25)32-36-30(20-7-2-1-3-8-20)35-31(37-32)21-12-13-29-27(18-21)26-10-4-5-11-28(26)38-29/h1-19H.
What are the key properties of 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine?
2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 555.44 g/mol, XLogP of 8.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 150429828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).