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

C51H31N3OS — CID 170206847

IUPAC2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-27-14-25-39-38-24-13-26-40(47(38)55-48(39)42)43-30-37(33-17-6-2-7-18-33)31-45-46(43)41-23-10-11-28-44(41)56-45/h1-31H
InChIKeyNBFFVJFTQAXJRZ-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

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

2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170206847) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170206847
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-27-14-25-39-38-24-13-26-40(47(38)55-48(39)42)43-30-37(33-17-6-2-7-18-33)31-45-46(43)41-23-10-11-28-44(41)56-45/h1-31H
InChIKeyNBFFVJFTQAXJRZ-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

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Related Compounds

2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170201772
2-phenyl-4-[6-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200294
2,4-diphenyl-6-[6-[4-phenyl-7-[3-[4-phenyl-6-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170198628
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170204172
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
2-phenyl-4-[6-(1-phenyldibenzothiophen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200466
2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200787
2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496709
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
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzothiophen-3-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378738
2-phenyl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850299
2,4-diphenyl-6-[9-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198709

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 170206847) is 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4c(-c6cc(-c7ccccc7)cc7sc8ccccc8c67)cccc45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is NBFFVJFTQAXJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)42-27-14-25-39-38-24-13-26-40(47(38)55-48(39)42)43-30-37(33-17-6-2-7-18-33)31-45-46(43)41-23-10-11-28-44(41)56-45/h1-31H.
What are the key properties of 2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-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-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170206847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).