1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole

C40H25N3O — CID 118153889

IUPAC1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C40H25N3O/c1-3-13-26(14-4-1)40-41-34(25-35(42-40)33-22-12-20-31-29-18-8-10-24-37(29)44-39(31)33)32-21-11-19-30-28-17-7-9-23-36(28)43(38(30)32)27-15-5-2-6-16-27/h1-25H
InChIKeyRLIOPUZJIVSNQT-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.47
Rot. Bonds4

About 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole

1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole (PubChem CID 118153889) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
PubChem CID118153889
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C40H25N3O/c1-3-13-26(14-4-1)40-41-34(25-35(42-40)33-22-12-20-31-29-18-8-10-24-37(29)44-39(31)33)32-21-11-19-30-28-17-7-9-23-36(28)43(38(30)32)27-15-5-2-6-16-27/h1-25H
InChIKeyRLIOPUZJIVSNQT-UHFFFAOYSA-N
XLogP10.47
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
12-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168896
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498
12-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 129254550
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
12-dibenzofuran-4-yl-11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,3-a]carbazole
CID 121385253
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole;12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole
CID 159993428
12-[3-[2,6-bis[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126630911
1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342623
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462

Frequently Asked Questions

What is the IUPAC name of 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole?
The IUPAC name of 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole (CID 118153889) is 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole?
The canonical SMILES for 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole?
The InChIKey is RLIOPUZJIVSNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-3-13-26(14-4-1)40-41-34(25-35(42-40)33-22-12-20-31-29-18-8-10-24-37(29)44-39(31)33)32-21-11-19-30-28-17-7-9-23-36(28)43(38(30)32)27-15-5-2-6-16-27/h1-25H.
What are the key properties of 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole?
1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole has a molecular weight of 563.66 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 118153889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).