9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline

C42H26N4O2 — CID 159438429

IUPAC9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4oc4ccccc45)c4oc5cc6cnccc6cc5c34)=N2)cc1
InChIInChI=1S/C42H26N4O2/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)33-19-18-32(31-16-9-15-30-29-14-7-8-17-35(29)47-38(30)31)39-37(33)34-22-27-20-21-43-24-28(27)23-36(34)48-39/h1-24,40H,(H,44,45,46)
InChIKeyLRWFRHGYGWZJOR-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.20
Rot. Bonds4

About 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline

9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline (PubChem CID 159438429) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
PubChem CID159438429
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4oc4ccccc45)c4oc5cc6cnccc6cc5c34)=N2)cc1
InChIInChI=1S/C42H26N4O2/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)33-19-18-32(31-16-9-15-30-29-14-7-8-17-35(29)47-38(30)31)39-37(33)34-22-27-20-21-43-24-28(27)23-36(34)48-39/h1-24,40H,(H,44,45,46)
InChIKeyLRWFRHGYGWZJOR-UHFFFAOYSA-N
XLogP10.20
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 172508090
15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166800277
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 163752446
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174321217
10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166800247
9-[4-[4-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 163628503
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
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline?
The IUPAC name of 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) is 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline.
What is the SMILES notation for 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline?
The canonical SMILES for 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4oc4ccccc45)c4oc5cc6cnccc6cc5c34)=N2)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline?
The InChIKey is LRWFRHGYGWZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)33-19-18-32(31-16-9-15-30-29-14-7-8-17-35(29)47-38(30)31)39-37(33)34-22-27-20-21-43-24-28(27)23-36(34)48-39/h1-24,40H,(H,44,45,46).
What are the key properties of 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline?
9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline has a molecular weight of 618.70 g/mol, XLogP of 10.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline is sourced from PubChem (CID 159438429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).