9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole

C52H33N3O — CID 146519902

IUPAC9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c45)c3c2)cc1
InChIInChI=1S/C52H33N3O/c1-5-14-34(15-6-1)38-24-27-41-42-28-25-39(35-16-7-2-8-17-35)31-48(42)55(47(41)30-38)40-26-29-43-50(32-40)56-49-23-13-22-44(51(43)49)52-53-45(36-18-9-3-10-19-36)33-46(54-52)37-20-11-4-12-21-37/h1-33H
InChIKeyZNGGUHJQWFDMFU-UHFFFAOYSA-N
MW715.86 g/mol
LogP13.81
Rot. Bonds6

About 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole

9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole (PubChem CID 146519902) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
PubChem CID146519902
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c45)c3c2)cc1
InChIInChI=1S/C52H33N3O/c1-5-14-34(15-6-1)38-24-27-41-42-28-25-39(35-16-7-2-8-17-35)31-48(42)55(47(41)30-38)40-26-29-43-50(32-40)56-49-23-13-22-44(51(43)49)52-53-45(36-18-9-3-10-19-36)33-46(54-52)37-20-11-4-12-21-37/h1-33H
InChIKeyZNGGUHJQWFDMFU-UHFFFAOYSA-N
XLogP13.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146334377
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146334196
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 166953278
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
9-[9-(4-cyclopenta-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 166670392
9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole
CID 163750210
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 170253940

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole (CID 146519902) is 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole is c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c45)c3c2)cc1.
What is the InChIKey of 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole?
The InChIKey is ZNGGUHJQWFDMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-5-14-34(15-6-1)38-24-27-41-42-28-25-39(35-16-7-2-8-17-35)31-48(42)55(47(41)30-38)40-26-29-43-50(32-40)56-49-23-13-22-44(51(43)49)52-53-45(36-18-9-3-10-19-36)33-46(54-52)37-20-11-4-12-21-37/h1-33H.
What are the key properties of 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole?
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole has a molecular weight of 715.86 g/mol, XLogP of 13.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole is sourced from PubChem (CID 146519902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).