2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

C51H31N3OS — CID 168850189

IUPAC2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5oc5cccc(-c7ccccc7)c56)c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-12-32(13-4-1)33-24-26-35(27-25-33)49-52-50(54-51(53-49)38-28-29-42-41-18-7-8-23-45(41)56-46(42)31-38)37-17-9-16-36(30-37)40-20-10-21-43-47-39(34-14-5-2-6-15-34)19-11-22-44(47)55-48(40)43/h1-31H
InChIKeyCJXNYPTZZDJXMA-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 168850189) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID168850189
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5oc5cccc(-c7ccccc7)c56)c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3OS/c1-3-12-32(13-4-1)33-24-26-35(27-25-33)49-52-50(54-51(53-49)38-28-29-42-41-18-7-8-23-45(41)56-46(42)31-38)37-17-9-16-36(30-37)40-20-10-21-43-47-39(34-14-5-2-6-15-34)19-11-22-44(47)55-48(40)43/h1-31H
InChIKeyCJXNYPTZZDJXMA-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-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079372
2-(7-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155477532
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078013
2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 155096599
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096844
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine;2-(3-dibenzothiophen-3-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-phenyl-4,6-bis(6-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157115619
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378841

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 168850189) is 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5oc5cccc(-c7ccccc7)c56)c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is CJXNYPTZZDJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-3-12-32(13-4-1)33-24-26-35(27-25-33)49-52-50(54-51(53-49)38-28-29-42-41-18-7-8-23-45(41)56-46(42)31-38)37-17-9-16-36(30-37)40-20-10-21-43-47-39(34-14-5-2-6-15-34)19-11-22-44(47)55-48(40)43/h1-31H.
What are the key properties of 2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-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-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168850189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).