3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole

C40H25N3O — CID 122451711

IUPAC3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H25N3O/c1-3-12-26(13-4-1)34-25-38(42-40(41-34)27-14-5-2-6-15-27)43-35-20-9-7-16-30(35)33-24-28(22-23-36(33)43)29-18-11-19-32-31-17-8-10-21-37(31)44-39(29)32/h1-25H
InChIKeyHCOCMACNVMIIJM-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.47
Rot. Bonds4

About 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole

3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole (PubChem CID 122451711) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
PubChem CID122451711
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H25N3O/c1-3-12-26(13-4-1)34-25-38(42-40(41-34)27-14-5-2-6-15-27)43-35-20-9-7-16-30(35)33-24-28(22-23-36(33)43)29-18-11-19-32-31-17-8-10-21-37(31)44-39(29)32/h1-25H
InChIKeyHCOCMACNVMIIJM-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

Analyze 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole
CID 142568974
3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 118508812
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604
3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422970
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-4-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159689631
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
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
3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170251153
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole (CID 122451711) is 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The InChIKey is HCOCMACNVMIIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-3-12-26(13-4-1)34-25-38(42-40(41-34)27-14-5-2-6-15-27)43-35-20-9-7-16-30(35)33-24-28(22-23-36(33)43)29-18-11-19-32-31-17-8-10-21-37(31)44-39(29)32/h1-25H.
What are the key properties of 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole 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 3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole is sourced from PubChem (CID 122451711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).