9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole

C51H32N4O — CID 155203344

IUPAC9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4n(-c4cccc5c4oc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c3c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-17-33(18-6-1)37-31-42(34-19-7-2-8-20-34)46-40-25-13-14-29-43(40)55(45(46)32-37)44-30-16-27-39-38-26-15-28-41(47(38)56-48(39)44)51-53-49(35-21-9-3-10-22-35)52-50(54-51)36-23-11-4-12-24-36/h1-32H
InChIKeyLLYJEUFPMUCKBJ-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole (PubChem CID 155203344) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole.

Molecular Properties

Compound Name9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
PubChem CID155203344
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4n(-c4cccc5c4oc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c3c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-17-33(18-6-1)37-31-42(34-19-7-2-8-20-34)46-40-25-13-14-29-43(40)55(45(46)32-37)44-30-16-27-39-38-26-15-28-41(47(38)56-48(39)44)51-53-49(35-21-9-3-10-22-35)52-50(54-51)36-23-11-4-12-24-36/h1-32H
InChIKeyLLYJEUFPMUCKBJ-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
CID 134236150
9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 170106292
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165
9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 168770491
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
4-phenyl-2-(3-phenylphenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170539134
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole
CID 146541321
9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168769745

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole?
The IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole (CID 155203344) is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole.
What is the SMILES notation for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole?
The canonical SMILES for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4n(-c4cccc5c4oc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)c3c2)cc1.
What is the InChIKey of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole?
The InChIKey is LLYJEUFPMUCKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-17-33(18-6-1)37-31-42(34-19-7-2-8-20-34)46-40-25-13-14-29-43(40)55(45(46)32-37)44-30-16-27-39-38-26-15-28-41(47(38)56-48(39)44)51-53-49(35-21-9-3-10-22-35)52-50(54-51)36-23-11-4-12-24-36/h1-32H.
What are the key properties of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole?
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole is sourced from PubChem (CID 155203344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).