6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline

C42H28N4O — CID 166800249

IUPAC6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6ccccc6nc5c34)=N2)cc1
InChIInChI=1S/C42H28N4O/c1-4-14-27(15-5-1)31-24-25-33(37-38-36(47-39(31)37)26-30-20-10-13-23-35(30)43-38)32-21-11-12-22-34(32)42-45-40(28-16-6-2-7-17-28)44-41(46-42)29-18-8-3-9-19-29/h1-26,40H,(H,44,45,46)
InChIKeyIUDKQHQAUNMAEW-UHFFFAOYSA-N
MW604.71 g/mol
LogP9.96
Rot. Bonds5

About 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline

6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline (PubChem CID 166800249) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline
PubChem CID166800249
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC Name6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6ccccc6nc5c34)=N2)cc1
InChIInChI=1S/C42H28N4O/c1-4-14-27(15-5-1)31-24-25-33(37-38-36(47-39(31)37)26-30-20-10-13-23-35(30)43-38)32-21-11-12-22-34(32)42-45-40(28-16-6-2-7-17-28)44-41(46-42)29-18-8-3-9-19-29/h1-26,40H,(H,44,45,46)
InChIKeyIUDKQHQAUNMAEW-UHFFFAOYSA-N
XLogP9.96
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline with MolForge

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Related Compounds

1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
CID 163785273
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 163752446
1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline
CID 162035273
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167029607
12-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166799978
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943
9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 159438429
2-(4-naphthalen-1-ylphenyl)-6-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 145340320
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline (CID 166800249) is 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline is c1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6ccccc6nc5c34)=N2)cc1.
What is the InChIKey of 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline?
The InChIKey is IUDKQHQAUNMAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-4-14-27(15-5-1)31-24-25-33(37-38-36(47-39(31)37)26-30-20-10-13-23-35(30)43-38)32-21-11-12-22-34(32)42-45-40(28-16-6-2-7-17-28)44-41(46-42)29-18-8-3-9-19-29/h1-26,40H,(H,44,45,46).
What are the key properties of 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline?
6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline has a molecular weight of 604.71 g/mol, XLogP of 9.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 166800249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).