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

C40H24N4O — CID 166502742

IUPAC1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5cccc6oc7nc8ccccc8cc7c56)ccc34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-3-11-25(12-4-1)37-42-38(26-13-5-2-6-14-26)44-39(43-37)32-18-9-16-27-23-28(21-22-30(27)32)31-17-10-20-35-36(31)33-24-29-15-7-8-19-34(29)41-40(33)45-35/h1-24H
InChIKeyHJCSIIALTFHLIR-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

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

1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 166502742) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
PubChem CID166502742
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5cccc6oc7nc8ccccc8cc7c56)ccc34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-3-11-25(12-4-1)37-42-38(26-13-5-2-6-14-26)44-39(43-37)32-18-9-16-27-23-28(21-22-30(27)32)31-17-10-20-35-36(31)33-24-29-15-7-8-19-34(29)41-40(33)45-35/h1-24H
InChIKeyHJCSIIALTFHLIR-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502729
6-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[3,2-b]quinoline
CID 166502658
2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797611
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165097425
2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233
2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171445645
4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline
CID 166502460
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797601
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 171445503

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline (CID 166502742) is 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5cccc6oc7nc8ccccc8cc7c56)ccc34)n2)cc1.
What is the InChIKey of 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is HJCSIIALTFHLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-3-11-25(12-4-1)37-42-38(26-13-5-2-6-14-26)44-39(43-37)32-18-9-16-27-23-28(21-22-30(27)32)31-17-10-20-35-36(31)33-24-29-15-7-8-19-34(29)41-40(33)45-35/h1-24H.
What are the key properties of 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline?
1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 166502742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).