2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine

C49H29N5OS — CID 155328605

IUPAC2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H29N5OS/c1-4-13-30(14-5-1)39-29-40(51-46(50-39)31-15-6-2-7-16-31)33-24-26-43-38(27-33)35-25-23-34(28-44(35)56-43)48-52-47(32-17-8-3-9-18-32)53-49(54-48)37-20-12-22-42-45(37)36-19-10-11-21-41(36)55-42/h1-29H
InChIKeyUBJODQREHSLERF-UHFFFAOYSA-N
MW735.87 g/mol
LogP12.93
Rot. Bonds6

About 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 155328605) has the molecular formula C49H29N5OS and a molecular weight of 735.87 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
PubChem CID155328605
Molecular FormulaC49H29N5OS
Molecular Weight735.87 g/mol
Exact Mass735.21
IUPAC Name2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H29N5OS/c1-4-13-30(14-5-1)39-29-40(51-46(50-39)31-15-6-2-7-16-31)33-24-26-43-38(27-33)35-25-23-34(28-44(35)56-43)48-52-47(32-17-8-3-9-18-32)53-49(54-48)37-20-12-22-42-45(37)36-19-10-11-21-41(36)55-42/h1-29H
InChIKeyUBJODQREHSLERF-UHFFFAOYSA-N
XLogP12.93
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.87
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155329006
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
2-dibenzofuran-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171597375
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519310
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171455314
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-chrysen-3-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-chrysen-3-yl-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chrysen-3-yl-4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 165017043
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-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine (CID 155328605) is 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is UBJODQREHSLERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5OS/c1-4-13-30(14-5-1)39-29-40(51-46(50-39)31-15-6-2-7-16-31)33-24-26-43-38(27-33)35-25-23-34(28-44(35)56-43)48-52-47(32-17-8-3-9-18-32)53-49(54-48)37-20-12-22-42-45(37)36-19-10-11-21-41(36)55-42/h1-29H.
What are the key properties of 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 735.87 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155328605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).