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

C57H35N3OS — CID 139404339

IUPAC2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3OS/c1-4-14-36(15-5-1)38-26-28-40(29-27-38)55-58-56(41-30-31-48-47-20-10-11-25-51(47)61-52(48)35-41)60-57(59-55)44-33-42(37-16-6-2-7-17-37)32-43(34-44)46-22-13-24-50-49-23-12-21-45(53(49)62-54(46)50)39-18-8-3-9-19-39/h1-35H
InChIKeyAICQJJBUDHYENO-UHFFFAOYSA-N
MW809.99 g/mol
LogP15.81
Rot. Bonds7

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

2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine (PubChem CID 139404339) has the molecular formula C57H35N3OS and a molecular weight of 809.99 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
PubChem CID139404339
Molecular FormulaC57H35N3OS
Molecular Weight809.99 g/mol
Exact Mass809.25
IUPAC Name2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3OS/c1-4-14-36(15-5-1)38-26-28-40(29-27-38)55-58-56(41-30-31-48-47-20-10-11-25-51(47)61-52(48)35-41)60-57(59-55)44-33-42(37-16-6-2-7-17-37)32-43(34-44)46-22-13-24-50-49-23-12-21-45(53(49)62-54(46)50)39-18-8-3-9-19-39/h1-35H
InChIKeyAICQJJBUDHYENO-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-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850202
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 160738296
2-dibenzofuran-3-yl-4-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153494890
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 139384489
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-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 161337871
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-1-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163547459

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine (CID 139404339) is 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is AICQJJBUDHYENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3OS/c1-4-14-36(15-5-1)38-26-28-40(29-27-38)55-58-56(41-30-31-48-47-20-10-11-25-51(47)61-52(48)35-41)60-57(59-55)44-33-42(37-16-6-2-7-17-37)32-43(34-44)46-22-13-24-50-49-23-12-21-45(53(49)62-54(46)50)39-18-8-3-9-19-39/h1-35H.
What are the key properties of 2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-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-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 139404339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).