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

C49H27N3O3 — CID 176844516

IUPAC2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc3c(oc4cccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7oc8ccccc8c67)n5)c43)c3ccccc23)cc1
InChIInChI=1S/C49H27N3O3/c1-2-13-28(14-3-1)37-27-38-44-35(21-12-26-42(44)55-46(38)31-17-5-4-15-29(31)37)48-50-47(34-20-11-25-41-43(34)33-18-7-9-24-40(33)53-41)51-49(52-48)36-22-10-19-32-30-16-6-8-23-39(30)54-45(32)36/h1-27H
InChIKeyIKFINOYPNULDRG-UHFFFAOYSA-N
MW705.77 g/mol
LogP13.39
Rot. Bonds4

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

2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine (PubChem CID 176844516) has the molecular formula C49H27N3O3 and a molecular weight of 705.77 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
PubChem CID176844516
Molecular FormulaC49H27N3O3
Molecular Weight705.77 g/mol
Exact Mass705.21
IUPAC Name2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc3c(oc4cccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7oc8ccccc8c67)n5)c43)c3ccccc23)cc1
InChIInChI=1S/C49H27N3O3/c1-2-13-28(14-3-1)37-27-38-44-35(21-12-26-42(44)55-46(38)31-17-5-4-15-29(31)37)48-50-47(34-20-11-25-41-43(34)33-18-7-9-24-40(33)53-41)51-49(52-48)36-22-10-19-32-30-16-6-8-23-39(30)54-45(32)36/h1-27H
InChIKeyIKFINOYPNULDRG-UHFFFAOYSA-N
XLogP13.39
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.77
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818397
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-dibenzofuran-2-yl-4-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176818485
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-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 171416687
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 165018119
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388
2-dibenzofuran-1-yl-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565423

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine (CID 176844516) is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine is c1ccc(-c2cc3c(oc4cccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7oc8ccccc8c67)n5)c43)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
The InChIKey is IKFINOYPNULDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N3O3/c1-2-13-28(14-3-1)37-27-38-44-35(21-12-26-42(44)55-46(38)31-17-5-4-15-29(31)37)48-50-47(34-20-11-25-41-43(34)33-18-7-9-24-40(33)53-41)51-49(52-48)36-22-10-19-32-30-16-6-8-23-39(30)54-45(32)36/h1-27H.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine has a molecular weight of 705.77 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine is sourced from PubChem (CID 176844516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).