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

C40H24N4O — CID 174301395

IUPAC2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6n5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)ccc2c1
InChIInChI=1S/C40H24N4O/c1-2-10-29-24-30(21-18-25(29)8-1)26-16-19-28(20-17-26)38-42-39(32-12-7-15-36-37(32)31-11-4-6-14-35(31)45-36)44-40(43-38)34-23-22-27-9-3-5-13-33(27)41-34/h1-24H
InChIKeyUGDMGABLXMXXRE-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

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

2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline (PubChem CID 174301395) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline
PubChem CID174301395
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6n5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)ccc2c1
InChIInChI=1S/C40H24N4O/c1-2-10-29-24-30(21-18-25(29)8-1)26-16-19-28(20-17-26)38-42-39(32-12-7-15-36-37(32)31-11-4-6-14-35(31)45-36)44-40(43-38)34-23-22-27-9-3-5-13-33(27)41-34/h1-24H
InChIKeyUGDMGABLXMXXRE-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

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Related Compounds

2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
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
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 170928036
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927
[4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569876

Frequently Asked Questions

What is the IUPAC name of 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline (CID 174301395) is 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline is c1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6n5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)ccc2c1.
What is the InChIKey of 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline?
The InChIKey is UGDMGABLXMXXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-2-10-29-24-30(21-18-25(29)8-1)26-16-19-28(20-17-26)38-42-39(32-12-7-15-36-37(32)31-11-4-6-14-35(31)45-36)44-40(43-38)34-23-22-27-9-3-5-13-33(27)41-34/h1-24H.
What are the key properties of 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline?
2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]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 2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 174301395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).