2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine

C47H27N3O2 — CID 176844444

IUPAC2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c3ccccc23)cc1
InChIInChI=1S/C47H27N3O2/c1-2-12-29(13-3-1)38-27-39-43-37(18-10-20-41(43)52-44(39)36-17-7-6-15-33(36)38)47-49-45(31-22-21-28-11-4-5-14-30(28)25-31)48-46(50-47)32-23-24-35-34-16-8-9-19-40(34)51-42(35)26-32/h1-27H
InChIKeyGCCLDDCOUKWLOX-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine (PubChem CID 176844444) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
PubChem CID176844444
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c3ccccc23)cc1
InChIInChI=1S/C47H27N3O2/c1-2-12-29(13-3-1)38-27-39-43-37(18-10-20-41(43)52-44(39)36-17-7-6-15-33(36)38)47-49-45(31-22-21-28-11-4-5-14-30(28)25-31)48-46(50-47)32-23-24-35-34-16-8-9-19-40(34)51-42(35)26-32/h1-27H
InChIKeyGCCLDDCOUKWLOX-UHFFFAOYSA-N
XLogP12.64
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176817611
2,4-dinaphthalen-2-yl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176817948
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
CID 167402325
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853511
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
2-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164835046
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844516
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163742846
2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742625

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine (CID 176844444) is 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine is c1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The InChIKey is GCCLDDCOUKWLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-12-29(13-3-1)38-27-39-43-37(18-10-20-41(43)52-44(39)36-17-7-6-15-33(36)38)47-49-45(31-22-21-28-11-4-5-14-30(28)25-31)48-46(50-47)32-23-24-35-34-16-8-9-19-40(34)51-42(35)26-32/h1-27H.
What are the key properties of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine has a molecular weight of 665.75 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine is sourced from PubChem (CID 176844444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).