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

C40H22N4O2 — CID 166502297

IUPAC6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6cc7cnccc7cc6c45)n3)ccc2c1
InChIInChI=1S/C40H22N4O2/c1-2-8-24-19-26(16-15-23(24)7-1)38-42-39(29-10-5-13-33-36(29)28-9-3-4-12-32(28)45-33)44-40(43-38)30-11-6-14-34-37(30)31-20-25-17-18-41-22-27(25)21-35(31)46-34/h1-22H
InChIKeyOTTMUOKNXGVYBV-UHFFFAOYSA-N
MW590.64 g/mol
LogP10.37
Rot. Bonds3

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

6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline (PubChem CID 166502297) has the molecular formula C40H22N4O2 and a molecular weight of 590.64 g/mol. Its IUPAC name is 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline.

Molecular Properties

Compound Name6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
PubChem CID166502297
Molecular FormulaC40H22N4O2
Molecular Weight590.64 g/mol
Exact Mass590.17
IUPAC Name6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6cc7cnccc7cc6c45)n3)ccc2c1
InChIInChI=1S/C40H22N4O2/c1-2-8-24-19-26(16-15-23(24)7-1)38-42-39(29-10-5-13-33-36(29)28-9-3-4-12-32(28)45-33)44-40(43-38)30-11-6-14-34-37(30)31-20-25-17-18-41-22-27(25)21-35(31)46-34/h1-22H
InChIKeyOTTMUOKNXGVYBV-UHFFFAOYSA-N
XLogP10.37
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
CID 170017177
6-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-g]isoquinoline;10-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]isoquinoline;10-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 167576165
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502386
5-(4-naphthalen-2-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785050
6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167568795
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline
CID 174298468
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-naphthalen-2-yl-4-(8-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316507
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502343

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline?
The IUPAC name of 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline (CID 166502297) is 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline.
What is the SMILES notation for 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline?
The canonical SMILES for 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline is c1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6cc7cnccc7cc6c45)n3)ccc2c1.
What is the InChIKey of 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline?
The InChIKey is OTTMUOKNXGVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O2/c1-2-8-24-19-26(16-15-23(24)7-1)38-42-39(29-10-5-13-33-36(29)28-9-3-4-12-32(28)45-33)44-40(43-38)30-11-6-14-34-37(30)31-20-25-17-18-41-22-27(25)21-35(31)46-34/h1-22H.
What are the key properties of 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline?
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline has a molecular weight of 590.64 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline is sourced from PubChem (CID 166502297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).