2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine

C57H35N3OS — CID 139549065

IUPAC2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C57H35N3OS/c1-4-15-36(16-5-1)39-29-31-43(41-21-12-22-42(33-41)44-24-13-25-46-45-23-10-11-28-52(45)62-54(44)46)48(34-39)57-59-55(38-19-8-3-9-20-38)58-56(60-57)47-26-14-27-51-53(47)49-35-40(30-32-50(49)61-51)37-17-6-2-7-18-37/h1-35H
InChIKeyNJNUEPLBTKSPSI-UHFFFAOYSA-N
MW809.99 g/mol
LogP15.81
Rot. Bonds7

About 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 139549065) has the molecular formula C57H35N3OS and a molecular weight of 809.99 g/mol. Its IUPAC name is 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID139549065
Molecular FormulaC57H35N3OS
Molecular Weight809.99 g/mol
Exact Mass809.25
IUPAC Name2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C57H35N3OS/c1-4-15-36(16-5-1)39-29-31-43(41-21-12-22-42(33-41)44-24-13-25-46-45-23-10-11-28-52(45)62-54(44)46)48(34-39)57-59-55(38-19-8-3-9-20-38)58-56(60-57)47-26-14-27-51-53(47)49-35-40(30-32-50(49)61-51)37-17-6-2-7-18-37/h1-35H
InChIKeyNJNUEPLBTKSPSI-UHFFFAOYSA-N
XLogP15.81
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.99
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 140946239
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 139549262
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 161063143
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(8-phenyldibenzofuran-1-yl)pyrimidine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyrimidine;2-[3-(4-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 159109291
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154603841
2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 118507834
2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 155329850
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-(9-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[6-(2-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 157106976
2-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-[3-[2-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-phenylphenyl]-4-phenyl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-[4-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[3-[3-(8-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 162093884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 139549065) is 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)c2)cc1.
What is the InChIKey of 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is NJNUEPLBTKSPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3OS/c1-4-15-36(16-5-1)39-29-31-43(41-21-12-22-42(33-41)44-24-13-25-46-45-23-10-11-28-52(45)62-54(44)46)48(34-39)57-59-55(38-19-8-3-9-20-38)58-56(60-57)47-26-14-27-51-53(47)49-35-40(30-32-50(49)61-51)37-17-6-2-7-18-37/h1-35H.
What are the key properties of 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 809.99 g/mol, XLogP of 15.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 139549065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).