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

C51H29N3O2S — CID 170378841

IUPAC2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3cccc(-c5cc(-c6ccccc6)c6c(c5)sc5ccccc56)c34)n2)cc1
InChIInChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)40-27-33(29-45-47(40)37-18-8-10-24-44(37)57-45)34-19-12-23-42-46(34)38-20-11-21-39(48(38)56-42)51-53-49(31-15-5-2-6-16-31)52-50(54-51)32-25-26-36-35-17-7-9-22-41(35)55-43(36)28-32/h1-29H
InChIKeyRRLVGLUVGFUUIE-UHFFFAOYSA-N
MW747.88 g/mol
LogP14.37
Rot. Bonds5

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

2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine (PubChem CID 170378841) has the molecular formula C51H29N3O2S and a molecular weight of 747.88 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
PubChem CID170378841
Molecular FormulaC51H29N3O2S
Molecular Weight747.88 g/mol
Exact Mass747.20
IUPAC Name2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3cccc(-c5cc(-c6ccccc6)c6c(c5)sc5ccccc56)c34)n2)cc1
InChIInChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)40-27-33(29-45-47(40)37-18-8-10-24-44(37)57-45)34-19-12-23-42-46(34)38-20-11-21-39(48(38)56-42)51-53-49(31-15-5-2-6-16-31)52-50(54-51)32-25-26-36-35-17-7-9-22-41(35)55-43(36)28-32/h1-29H
InChIKeyRRLVGLUVGFUUIE-UHFFFAOYSA-N
XLogP14.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.88
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170204172
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-phenyl-4-[6-(1-phenyldibenzothiophen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200466
2-(7-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155477532
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378742
2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
2,4-diphenyl-6-[9-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198709
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2,4-diphenyl-6-[7-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198656

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine (CID 170378841) is 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3cccc(-c5cc(-c6ccccc6)c6c(c5)sc5ccccc56)c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The InChIKey is RRLVGLUVGFUUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)40-27-33(29-45-47(40)37-18-8-10-24-44(37)57-45)34-19-12-23-42-46(34)38-20-11-21-39(48(38)56-42)51-53-49(31-15-5-2-6-16-31)52-50(54-51)32-25-26-36-35-17-7-9-22-41(35)55-43(36)28-32/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine has a molecular weight of 747.88 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine is sourced from PubChem (CID 170378841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).