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

C47H27N3O2 — CID 170017176

IUPAC2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4cccc5cc6c(cc45)oc4ccccc46)nc(-c4cccc5oc6ccccc6c45)n3)cc3ccccc23)cc1
InChIInChI=1S/C47H27N3O2/c1-2-12-28(13-3-1)37-26-31(24-29-14-4-5-16-32(29)37)45-48-46(50-47(49-45)36-20-11-23-42-44(36)35-18-7-9-22-41(35)51-42)34-19-10-15-30-25-39-33-17-6-8-21-40(33)52-43(39)27-38(30)34/h1-27H
InChIKeyVFTYKHIYFFVGEO-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

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

2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 170017176) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID170017176
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4cccc5cc6c(cc45)oc4ccccc46)nc(-c4cccc5oc6ccccc6c45)n3)cc3ccccc23)cc1
InChIInChI=1S/C47H27N3O2/c1-2-12-28(13-3-1)37-26-31(24-29-14-4-5-16-32(29)37)45-48-46(50-47(49-45)36-20-11-23-42-44(36)35-18-7-9-22-41(35)51-42)34-19-10-15-30-25-39-33-17-6-8-21-40(33)52-43(39)27-38(30)34/h1-27H
InChIKeyVFTYKHIYFFVGEO-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-dibenzofuran-1-yl-4-(4-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazine
CID 177112850
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 171445503
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016837
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208532
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
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-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171445645
2-dibenzofuran-1-yl-4-phenyl-6-[4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 176766406
2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112653
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112743
2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741639

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 170017176) is 2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4cccc5cc6c(cc45)oc4ccccc46)nc(-c4cccc5oc6ccccc6c45)n3)cc3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is VFTYKHIYFFVGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-12-28(13-3-1)37-26-31(24-29-14-4-5-16-32(29)37)45-48-46(50-47(49-45)36-20-11-23-42-44(36)35-18-7-9-22-41(35)51-42)34-19-10-15-30-25-39-33-17-6-8-21-40(33)52-43(39)27-38(30)34/h1-27H.
What are the key properties of 2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-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-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170017176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).