2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C51H31N3OS — CID 138519471

IUPAC2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c(-c6ccccc6)cccc45)nc(-c4ccc5sc6c(-c7ccccc7)cccc6c5c4)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-12-32(13-5-1)33-22-24-36(25-23-33)49-52-50(37-27-29-46-44(30-37)43-21-11-19-40(48(43)56-46)35-16-8-3-9-17-35)54-51(53-49)38-26-28-41-42-20-10-18-39(34-14-6-2-7-15-34)47(42)55-45(41)31-38/h1-31H
InChIKeyFIUXLXJZJCNNCU-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 138519471) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID138519471
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c(-c6ccccc6)cccc45)nc(-c4ccc5sc6c(-c7ccccc7)cccc6c5c4)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-12-32(13-5-1)33-22-24-36(25-23-33)49-52-50(37-27-29-46-44(30-37)43-21-11-19-40(48(43)56-46)35-16-8-3-9-17-35)54-51(53-49)38-26-28-41-42-20-10-18-39(34-14-6-2-7-15-34)47(42)55-45(41)31-38/h1-31H
InChIKeyFIUXLXJZJCNNCU-UHFFFAOYSA-N
XLogP14.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850202
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-phenyl-4-[7-(4-phenyldibenzothiophen-2-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378458
4-dibenzothiophen-4-yl-2-[4-[7-[8-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]dibenzofuran-2-yl]dibenzofuran-4-yl]phenyl]-6-(2-phenylphenyl)pyrimidine
CID 167197032
2-[6-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364256
2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 155096846
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 159808130

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 138519471) is 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c(-c6ccccc6)cccc45)nc(-c4ccc5sc6c(-c7ccccc7)cccc6c5c4)n3)cc2)cc1.
What is the InChIKey of 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FIUXLXJZJCNNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-12-32(13-5-1)33-22-24-36(25-23-33)49-52-50(37-27-29-46-44(30-37)43-21-11-19-40(48(43)56-46)35-16-8-3-9-17-35)54-51(53-49)38-26-28-41-42-20-10-18-39(34-14-6-2-7-15-34)47(42)55-45(41)31-38/h1-31H.
What are the key properties of 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 733.90 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138519471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).