2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

C47H29N3O — CID 163627856

IUPAC2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C47H29N3O/c1-2-11-30(12-3-1)35-17-10-18-36(25-35)39-28-41(44-40-19-8-9-20-42(40)51-43(44)29-39)47-49-45(37-23-21-31-13-4-6-15-33(31)26-37)48-46(50-47)38-24-22-32-14-5-7-16-34(32)27-38/h1-29H
InChIKeyIHRQWAMASLKQOE-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 163627856) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID163627856
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C47H29N3O/c1-2-11-30(12-3-1)35-17-10-18-36(25-35)39-28-41(44-40-19-8-9-20-42(40)51-43(44)29-39)47-49-45(37-23-21-31-13-4-6-15-33(31)26-37)48-46(50-47)38-24-22-32-14-5-7-16-34(32)27-38/h1-29H
InChIKeyIHRQWAMASLKQOE-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
2-dibenzofuran-3-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742821
2-(3-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742618
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 158583534
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742910
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
CID 167402692
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 163627856) is 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is IHRQWAMASLKQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-11-30(12-3-1)35-17-10-18-36(25-35)39-28-41(44-40-19-8-9-20-42(40)51-43(44)29-39)47-49-45(37-23-21-31-13-4-6-15-33(31)26-37)48-46(50-47)38-24-22-32-14-5-7-16-34(32)27-38/h1-29H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 163627856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).