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

C51H31N3OS — CID 170201772

IUPAC2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)37-30-42(47-39-23-10-11-28-44(39)56-45(47)31-37)38-24-13-25-40-46-41(26-14-27-43(46)55-48(38)40)51-53-49(33-17-6-2-7-18-33)52-50(54-51)34-19-8-3-9-20-34/h1-31H
InChIKeyAUXFYBLYSLKZAB-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

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

2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 170201772) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID170201772
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)37-30-42(47-39-23-10-11-28-44(39)56-45(47)31-37)38-24-13-25-40-46-41(26-14-27-43(46)55-48(38)40)51-53-49(33-17-6-2-7-18-33)52-50(54-51)34-19-8-3-9-20-34/h1-31H
InChIKeyAUXFYBLYSLKZAB-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

Analyze 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206847
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200545
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170204172
2-dibenzothiophen-2-yl-4-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742461
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 153289611
2,4-diphenyl-6-[9-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198709
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378841
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine (CID 170201772) is 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c4c(c3)sc3ccccc34)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is AUXFYBLYSLKZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)37-30-42(47-39-23-10-11-28-44(39)56-45(47)31-37)38-24-13-25-40-46-41(26-14-27-43(46)55-48(38)40)51-53-49(33-17-6-2-7-18-33)52-50(54-51)34-19-8-3-9-20-34/h1-31H.
What are the key properties of 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-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 2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170201772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).