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

C75H49N3O — CID 175875594

IUPAC4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3-c3ccccc3)c(-c3ccccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c3c(oc4c(-c5ccccc5-c5ccccc5)cccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C75H49N3O/c1-7-28-50(29-8-1)56-40-19-22-43-59(56)64-48-27-49-65-71-70(62-46-25-26-47-63(62)73-67(54-36-15-5-16-37-54)72(76-78-77-73)55-38-17-6-18-39-55)69(61-45-24-21-42-58(61)52-32-11-3-12-33-52)68(60-44-23-20-41-57(60)51-30-9-2-10-31-51)66(75(71)79-74(64)65)53-34-13-4-14-35-53/h1-49H
InChIKeyDTSKWNHMOPIWBR-UHFFFAOYSA-N
MW1008.24 g/mol
LogP20.11
Rot. Bonds11

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

4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine (PubChem CID 175875594) has the molecular formula C75H49N3O and a molecular weight of 1008.24 g/mol. Its IUPAC name is 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine.

Molecular Properties

Compound Name4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
PubChem CID175875594
Molecular FormulaC75H49N3O
Molecular Weight1008.24 g/mol
Exact Mass1007.39
IUPAC Name4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3-c3ccccc3)c(-c3ccccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c3c(oc4c(-c5ccccc5-c5ccccc5)cccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C75H49N3O/c1-7-28-50(29-8-1)56-40-19-22-43-59(56)64-48-27-49-65-71-70(62-46-25-26-47-63(62)73-67(54-36-15-5-16-37-54)72(76-78-77-73)55-38-17-6-18-39-55)69(61-45-24-21-42-58(61)52-32-11-3-12-33-52)68(60-44-23-20-41-57(60)51-30-9-2-10-31-51)66(75(71)79-74(64)65)53-34-13-4-14-35-53/h1-49H
InChIKeyDTSKWNHMOPIWBR-UHFFFAOYSA-N
XLogP20.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.24
LogP ≤ 520.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine?
The IUPAC name of 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine (CID 175875594) is 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine.
What is the SMILES notation for 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine?
The canonical SMILES for 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine is c1ccc(-c2ccccc2-c2c(-c3ccccc3-c3ccccc3)c(-c3ccccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c3c(oc4c(-c5ccccc5-c5ccccc5)cccc43)c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine?
The InChIKey is DTSKWNHMOPIWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N3O/c1-7-28-50(29-8-1)56-40-19-22-43-59(56)64-48-27-49-65-71-70(62-46-25-26-47-63(62)73-67(54-36-15-5-16-37-54)72(76-78-77-73)55-38-17-6-18-39-55)69(61-45-24-21-42-58(61)52-32-11-3-12-33-52)68(60-44-23-20-41-57(60)51-30-9-2-10-31-51)66(75(71)79-74(64)65)53-34-13-4-14-35-53/h1-49H.
What are the key properties of 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine?
4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine has a molecular weight of 1008.24 g/mol, XLogP of 20.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine is sourced from PubChem (CID 175875594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).