2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine

C45H27N3O2 — CID 170378332

IUPAC2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cc(-c6ccccc6)c6c(c5)oc5ccccc56)cccc34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-4-14-28(15-5-1)37-26-31(27-39-40(37)35-20-10-11-25-38(35)49-39)32-21-12-22-33-34-23-13-24-36(42(34)50-41(32)33)45-47-43(29-16-6-2-7-17-29)46-44(48-45)30-18-8-3-9-19-30/h1-27H
InChIKeyNWOHOPYBLHJQNZ-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

About 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine

2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine (PubChem CID 170378332) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
PubChem CID170378332
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cc(-c6ccccc6)c6c(c5)oc5ccccc56)cccc34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-4-14-28(15-5-1)37-26-31(27-39-40(37)35-20-10-11-25-38(35)49-39)32-21-12-22-33-34-23-13-24-36(42(34)50-41(32)33)45-47-43(29-16-6-2-7-17-29)46-44(48-45)30-18-8-3-9-19-30/h1-27H
InChIKeyNWOHOPYBLHJQNZ-UHFFFAOYSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112653
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
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
2,4-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-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine (CID 170378332) is 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cc(-c6ccccc6)c6c(c5)oc5ccccc56)cccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The InChIKey is NWOHOPYBLHJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-4-14-28(15-5-1)37-26-31(27-39-40(37)35-20-10-11-25-38(35)49-39)32-21-12-22-33-34-23-13-24-36(42(34)50-41(32)33)45-47-43(29-16-6-2-7-17-29)46-44(48-45)30-18-8-3-9-19-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine has a molecular weight of 641.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine is sourced from PubChem (CID 170378332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).