5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline

C36H21BrN4O — CID 151172267

IUPAC5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESBrc1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C36H21BrN4O/c37-25-20-23(26-12-7-16-31-27(26)15-8-18-38-31)19-24(21-25)35-39-34(22-9-2-1-3-10-22)40-36(41-35)30-14-6-13-29-28-11-4-5-17-32(28)42-33(29)30/h1-21H
InChIKeyNCNLLKXXPWTGOJ-UHFFFAOYSA-N
MW605.50 g/mol
LogP9.75
Rot. Bonds4

About 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline

5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 151172267) has the molecular formula C36H21BrN4O and a molecular weight of 605.50 g/mol. Its IUPAC name is 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID151172267
Molecular FormulaC36H21BrN4O
Molecular Weight605.50 g/mol
Exact Mass604.09
IUPAC Name5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESBrc1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C36H21BrN4O/c37-25-20-23(26-12-7-16-31-27(26)15-8-18-38-31)19-24(21-25)35-39-34(22-9-2-1-3-10-22)40-36(41-35)30-14-6-13-29-28-11-4-5-17-32(28)42-33(29)30/h1-21H
InChIKeyNCNLLKXXPWTGOJ-UHFFFAOYSA-N
XLogP9.75
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.50
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline with MolForge

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Related Compounds

2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
CID 154949961
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155708548
5-[4-[4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155079173
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline
CID 154949982
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
5-[4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155078142
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 151172267) is 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline is Brc1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3ncccc23)c1.
What is the InChIKey of 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is NCNLLKXXPWTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21BrN4O/c37-25-20-23(26-12-7-16-31-27(26)15-8-18-38-31)19-24(21-25)35-39-34(22-9-2-1-3-10-22)40-36(41-35)30-14-6-13-29-28-11-4-5-17-32(28)42-33(29)30/h1-21H.
What are the key properties of 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline has a molecular weight of 605.50 g/mol, XLogP of 9.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 151172267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).