2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C45H27N3OS — CID 155078795

IUPAC2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C45H27N3OS/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)44-46-43(29-15-5-2-6-16-29)47-45(48-44)36-26-25-33(41-34-19-7-9-22-37(34)49-42(36)41)32-21-12-24-39-40(32)35-20-8-10-23-38(35)50-39/h1-27H
InChIKeyRERZODVGVMPIHK-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.47
Rot. Bonds5

About 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 155078795) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID155078795
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C45H27N3OS/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)44-46-43(29-15-5-2-6-16-29)47-45(48-44)36-26-25-33(41-34-19-7-9-22-37(34)49-42(36)41)32-21-12-24-39-40(32)35-20-8-10-23-38(35)50-39/h1-27H
InChIKeyRERZODVGVMPIHK-UHFFFAOYSA-N
XLogP12.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079040
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079038
2-dibenzothiophen-2-yl-4-(1-phenyldibenzofuran-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176831417
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078013
4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078881
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
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158143697
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199430

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 155078795) is 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is RERZODVGVMPIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)44-46-43(29-15-5-2-6-16-29)47-45(48-44)36-26-25-33(41-34-19-7-9-22-37(34)49-42(36)41)32-21-12-24-39-40(32)35-20-8-10-23-38(35)50-39/h1-27H.
What are the key properties of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 657.80 g/mol, XLogP of 12.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155078795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).