2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole

C52H33N3O — CID 146395679

IUPAC2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4cc(-c6c(-c7ccccc7)nc(-c7ccccc7)nc6-c6ccccc6)ccc45)c3c2)cc1
InChIInChI=1S/C52H33N3O/c1-5-16-34(17-6-1)38-28-30-41-40-24-13-14-26-44(40)55(46(41)32-38)45-27-15-25-43-42-31-29-39(33-47(42)56-51(43)45)48-49(35-18-7-2-8-19-35)53-52(37-22-11-4-12-23-37)54-50(48)36-20-9-3-10-21-36/h1-33H
InChIKeyMODXULMENJKBIJ-UHFFFAOYSA-N
MW715.86 g/mol
LogP13.81
Rot. Bonds6

About 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole

2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole (PubChem CID 146395679) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
PubChem CID146395679
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4cc(-c6c(-c7ccccc7)nc(-c7ccccc7)nc6-c6ccccc6)ccc45)c3c2)cc1
InChIInChI=1S/C52H33N3O/c1-5-16-34(17-6-1)38-28-30-41-40-24-13-14-26-44(40)55(46(41)32-38)45-27-15-25-43-42-31-29-39(33-47(42)56-51(43)45)48-49(35-18-7-2-8-19-35)53-52(37-22-11-4-12-23-37)54-50(48)36-20-9-3-10-21-36/h1-33H
InChIKeyMODXULMENJKBIJ-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

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole;2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 158100934
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
CID 174101635
CID 174101635
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146335703
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
CID 162089206
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146336134
9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole
CID 146335839

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole (CID 146395679) is 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4cc(-c6c(-c7ccccc7)nc(-c7ccccc7)nc6-c6ccccc6)ccc45)c3c2)cc1.
What is the InChIKey of 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is MODXULMENJKBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-5-16-34(17-6-1)38-28-30-41-40-24-13-14-26-44(40)55(46(41)32-38)45-27-15-25-43-42-31-29-39(33-47(42)56-51(43)45)48-49(35-18-7-2-8-19-35)53-52(37-22-11-4-12-23-37)54-50(48)36-20-9-3-10-21-36/h1-33H.
What are the key properties of 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole?
2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole 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 2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146395679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).