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

C47H27N3O2 — CID 176853943

IUPAC2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4ccccc45)n2)c2c4ccccc4oc32)cc1
InChIInChI=1S/C47H27N3O2/c1-2-10-28(11-3-1)31-20-22-35-34(25-31)26-39(43-38-15-7-9-17-41(38)52-44(35)43)47-49-45(32-19-18-29-12-4-5-13-30(29)24-32)48-46(50-47)33-21-23-37-36-14-6-8-16-40(36)51-42(37)27-33/h1-27H
InChIKeyKGBONKKQFQKHNW-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

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

2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (PubChem CID 176853943) 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-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
PubChem CID176853943
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4ccccc45)n2)c2c4ccccc4oc32)cc1
InChIInChI=1S/C47H27N3O2/c1-2-10-28(11-3-1)31-20-22-35-34(25-31)26-39(43-38-15-7-9-17-41(38)52-44(35)43)47-49-45(32-19-18-29-12-4-5-13-30(29)24-32)48-46(50-47)33-21-23-37-36-14-6-8-16-40(36)51-42(37)27-33/h1-27H
InChIKeyKGBONKKQFQKHNW-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-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-dibenzofuran-3-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742821
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 177130949
2-(3-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742618
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402174
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531
2-dibenzofuran-4-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853960
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (CID 176853943) is 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4ccccc45)n2)c2c4ccccc4oc32)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The InChIKey is KGBONKKQFQKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-10-28(11-3-1)31-20-22-35-34(25-31)26-39(43-38-15-7-9-17-41(38)52-44(35)43)47-49-45(32-19-18-29-12-4-5-13-30(29)24-32)48-46(50-47)33-21-23-37-36-14-6-8-16-40(36)51-42(37)27-33/h1-27H.
What are the key properties of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-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-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is sourced from PubChem (CID 176853943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).