2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C51H31N3OS — CID 176773453

IUPAC2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)oc4cccc(-c6ccccc6-c6cccc7c6sc6ccccc67)c45)c3)n2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)36-19-11-18-34(30-36)35-28-29-43-45(31-35)55-44-26-13-23-40(47(43)44)37-20-7-8-21-38(37)41-24-12-25-42-39-22-9-10-27-46(39)56-48(41)42/h1-31H
InChIKeyXLJLDAADLVJHNU-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 176773453) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID176773453
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)oc4cccc(-c6ccccc6-c6cccc7c6sc6ccccc67)c45)c3)n2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)36-19-11-18-34(30-36)35-28-29-43-45(31-35)55-44-26-13-23-40(47(43)44)37-20-7-8-21-38(37)41-24-12-25-42-39-22-9-10-27-46(39)56-48(41)42/h1-31H
InChIKeyXLJLDAADLVJHNU-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-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158691647
2-[3-[7-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193079
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 168769902
2,4-diphenyl-6-[9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170201721
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170201719

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 176773453) is 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)oc4cccc(-c6ccccc6-c6cccc7c6sc6ccccc67)c45)c3)n2)cc1.
What is the InChIKey of 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XLJLDAADLVJHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)36-19-11-18-34(30-36)35-28-29-43-45(31-35)55-44-26-13-23-40(47(43)44)37-20-7-8-21-38(37)41-24-12-25-42-39-22-9-10-27-46(39)56-48(41)42/h1-31H.
What are the key properties of 2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-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-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 176773453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).