2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine

C47H27N3O2 — CID 167402325

IUPAC2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc3c4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc4oc3c3ccccc23)cc1
InChIInChI=1S/C47H27N3O2/c1-2-11-29(12-3-1)38-27-40-39-25-32(21-23-42(39)52-44(40)37-16-7-6-14-34(37)38)46-48-45(31-19-18-28-10-4-5-13-30(28)24-31)49-47(50-46)33-20-22-36-35-15-8-9-17-41(35)51-43(36)26-33/h1-27H
InChIKeyTVRJTWLAFJDTHS-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-8-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine (PubChem CID 167402325) 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-8-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
PubChem CID167402325
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-8-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc3c4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc4oc3c3ccccc23)cc1
InChIInChI=1S/C47H27N3O2/c1-2-11-29(12-3-1)38-27-40-39-25-32(21-23-42(39)52-44(40)37-16-7-6-14-34(37)38)46-48-45(31-19-18-28-10-4-5-13-30(28)24-31)49-47(50-46)33-20-22-36-35-15-8-9-17-41(35)51-43(36)26-33/h1-27H
InChIKeyTVRJTWLAFJDTHS-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-2-yl-4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 169048833
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176817775
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817731
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844444
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167143642
2-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164834936
2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
2-naphthalen-2-yl-4-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 171399233

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-8-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-8-yl)-1,3,5-triazine (CID 167402325) is 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-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-8-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-8-yl)-1,3,5-triazine is c1ccc(-c2cc3c4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc4oc3c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine?
The InChIKey is TVRJTWLAFJDTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-11-29(12-3-1)38-27-40-39-25-32(21-23-42(39)52-44(40)37-16-7-6-14-34(37)38)46-48-45(31-19-18-28-10-4-5-13-30(28)24-31)49-47(50-46)33-20-22-36-35-15-8-9-17-41(35)51-43(36)26-33/h1-27H.
What are the key properties of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-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-8-yl)-1,3,5-triazine is sourced from PubChem (CID 167402325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).