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

C51H29N3OS2 — CID 137496603

IUPAC2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7c(c6)sc6ccccc67)cc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)n2)cc1
InChIInChI=1S/C51H29N3OS2/c1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-24-43-41(25-34)42-27-35(32-19-22-38-36-15-7-9-17-44(36)56-46(38)28-32)26-40(48(42)55-43)33-20-23-39-37-16-8-10-18-45(37)57-47(39)29-33/h1-29H
InChIKeyIVNGRWGUFUVGHK-UHFFFAOYSA-N
MW763.95 g/mol
LogP14.84
Rot. Bonds5

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

2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 137496603) has the molecular formula C51H29N3OS2 and a molecular weight of 763.95 g/mol. Its IUPAC name is 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID137496603
Molecular FormulaC51H29N3OS2
Molecular Weight763.95 g/mol
Exact Mass763.18
IUPAC Name2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7c(c6)sc6ccccc67)cc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)n2)cc1
InChIInChI=1S/C51H29N3OS2/c1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-24-43-41(25-34)42-27-35(32-19-22-38-36-15-7-9-17-44(36)56-46(38)28-32)26-40(48(42)55-43)33-20-23-39-37-16-8-10-18-45(37)57-47(39)29-33/h1-29H
InChIKeyIVNGRWGUFUVGHK-UHFFFAOYSA-N
XLogP14.84
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.95
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402609
2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496709
2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 163439299
2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496784
2-[8-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597450
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199155
2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378609
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 137496603) is 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7c(c6)sc6ccccc67)cc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)n2)cc1.
What is the InChIKey of 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is IVNGRWGUFUVGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3OS2/c1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-24-43-41(25-34)42-27-35(32-19-22-38-36-15-7-9-17-44(36)56-46(38)28-32)26-40(48(42)55-43)33-20-23-39-37-16-8-10-18-45(37)57-47(39)29-33/h1-29H.
What are the key properties of 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 763.95 g/mol, XLogP of 14.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 137496603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).