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

C57H36N4O — CID 134236150

IUPAC9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2cccc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C57H36N4O/c1-6-18-37(19-7-1)42-32-33-50-48(34-42)49-36-43(38-20-8-2-9-21-38)35-47(39-22-10-3-11-23-39)52(49)61(50)51-31-17-29-45-44-28-16-30-46(53(44)62-54(45)51)57-59-55(40-24-12-4-13-25-40)58-56(60-57)41-26-14-5-15-27-41/h1-36H
InChIKeyYGLBZORKMMLOAA-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

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

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole (PubChem CID 134236150) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole.

Molecular Properties

Compound Name9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
PubChem CID134236150
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2cccc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C57H36N4O/c1-6-18-37(19-7-1)42-32-33-50-48(34-42)49-36-43(38-20-8-2-9-21-38)35-47(39-22-10-3-11-23-39)52(49)61(50)51-31-17-29-45-44-28-16-30-46(53(44)62-54(45)51)57-59-55(40-24-12-4-13-25-40)58-56(60-57)41-26-14-5-15-27-41/h1-36H
InChIKeyYGLBZORKMMLOAA-UHFFFAOYSA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
CID 155203344
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
12-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenyl-[1]benzofuro[2,3-a]carbazole;12-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenyl-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 164977995
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165032015
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-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole?
The IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole (CID 134236150) is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole.
What is the SMILES notation for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole?
The canonical SMILES for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2cccc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1.
What is the InChIKey of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole?
The InChIKey is YGLBZORKMMLOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-6-18-37(19-7-1)42-32-33-50-48(34-42)49-36-43(38-20-8-2-9-21-38)35-47(39-22-10-3-11-23-39)52(49)61(50)51-31-17-29-45-44-28-16-30-46(53(44)62-54(45)51)57-59-55(40-24-12-4-13-25-40)58-56(60-57)41-26-14-5-15-27-41/h1-36H.
What are the key properties of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole?
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3,6-triphenylcarbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 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]-1,3,6-triphenylcarbazole is sourced from PubChem (CID 134236150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).