4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine

C46H28N2O2 — CID 162775240

IUPAC4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
SMILESc1ccc(-c2ccc3oc4cc(-c5cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc6oc7ccccc7c56)ccc4c3c2)cc1
InChIInChI=1S/C46H28N2O2/c1-4-12-29(13-5-1)32-21-23-42-38(24-32)35-22-20-33(26-43(35)49-42)37-25-34(27-44-45(37)36-18-10-11-19-41(36)50-44)46-47-39(30-14-6-2-7-15-30)28-40(48-46)31-16-8-3-9-17-31/h1-28H
InChIKeyWWASEZTZARYWKS-UHFFFAOYSA-N
MW640.74 g/mol
LogP12.61
Rot. Bonds5

About 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine

4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine (PubChem CID 162775240) has the molecular formula C46H28N2O2 and a molecular weight of 640.74 g/mol. Its IUPAC name is 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
PubChem CID162775240
Molecular FormulaC46H28N2O2
Molecular Weight640.74 g/mol
Exact Mass640.22
IUPAC Name4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
SMILESc1ccc(-c2ccc3oc4cc(-c5cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc6oc7ccccc7c56)ccc4c3c2)cc1
InChIInChI=1S/C46H28N2O2/c1-4-12-29(13-5-1)32-21-23-42-38(24-32)35-22-20-33(26-43(35)49-42)37-25-34(27-44-45(37)36-18-10-11-19-41(36)50-44)46-47-39(30-14-6-2-7-15-30)28-40(48-46)31-16-8-3-9-17-31/h1-28H
InChIKeyWWASEZTZARYWKS-UHFFFAOYSA-N
XLogP12.61
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.74
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-3-yl-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 147701986
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259532
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-3-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 158640831
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
CID 139304383

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine (CID 162775240) is 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine is c1ccc(-c2ccc3oc4cc(-c5cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc6oc7ccccc7c56)ccc4c3c2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine?
The InChIKey is WWASEZTZARYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2/c1-4-12-29(13-5-1)32-21-23-42-38(24-32)35-22-20-33(26-43(35)49-42)37-25-34(27-44-45(37)36-18-10-11-19-41(36)50-44)46-47-39(30-14-6-2-7-15-30)28-40(48-46)31-16-8-3-9-17-31/h1-28H.
What are the key properties of 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine?
4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine has a molecular weight of 640.74 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine is sourced from PubChem (CID 162775240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).