4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine

C45H27N3O3 — CID 166961083

IUPAC4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4oc5ccccc5c34)N=C(c3ccc4oc5cc(-c6cccc7c6oc6ccccc67)ccc5c4c3)N2)cc1
InChIInChI=1S/C45H27N3O3/c1-2-10-26(11-3-1)43-46-44(48-45(47-43)34-16-9-19-39-41(34)33-13-5-7-18-37(33)49-39)28-21-23-38-35(24-28)31-22-20-27(25-40(31)50-38)29-14-8-15-32-30-12-4-6-17-36(30)51-42(29)32/h1-25,43H,(H,46,47,48)
InChIKeyXLJPRQPENKXCHP-UHFFFAOYSA-N
MW657.73 g/mol
LogP11.55
Rot. Bonds4

About 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine

4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 166961083) has the molecular formula C45H27N3O3 and a molecular weight of 657.73 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID166961083
Molecular FormulaC45H27N3O3
Molecular Weight657.73 g/mol
Exact Mass657.21
IUPAC Name4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4oc5ccccc5c34)N=C(c3ccc4oc5cc(-c6cccc7c6oc6ccccc67)ccc5c4c3)N2)cc1
InChIInChI=1S/C45H27N3O3/c1-2-10-26(11-3-1)43-46-44(48-45(47-43)34-16-9-19-39-41(34)33-13-5-7-18-37(33)49-39)28-21-23-38-35(24-28)31-22-20-27(25-40(31)50-38)29-14-8-15-32-30-12-4-6-17-36(30)51-42(29)32/h1-25,43H,(H,46,47,48)
InChIKeyXLJPRQPENKXCHP-UHFFFAOYSA-N
XLogP11.55
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.73
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 166961266
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine (CID 166961083) is 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3cccc4oc5ccccc5c34)N=C(c3ccc4oc5cc(-c6cccc7c6oc6ccccc67)ccc5c4c3)N2)cc1.
What is the InChIKey of 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is XLJPRQPENKXCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O3/c1-2-10-26(11-3-1)43-46-44(48-45(47-43)34-16-9-19-39-41(34)33-13-5-7-18-37(33)49-39)28-21-23-38-35(24-28)31-22-20-27(25-40(31)50-38)29-14-8-15-32-30-12-4-6-17-36(30)51-42(29)32/h1-25,43H,(H,46,47,48).
What are the key properties of 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 657.73 g/mol, XLogP of 11.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 166961083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).