2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine

C40H24N2O2 — CID 139304383

IUPAC2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C40H24N2O2/c1-2-9-25(10-3-1)26-17-19-27(20-18-26)33-24-34(28-21-22-30-29-11-4-6-14-35(29)44-38(30)23-28)42-40(41-33)32-13-8-16-37-39(32)31-12-5-7-15-36(31)43-37/h1-24H
InChIKeyFPRVSSJEFBVHDR-UHFFFAOYSA-N
MW564.64 g/mol
LogP10.94
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine

2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine (PubChem CID 139304383) has the molecular formula C40H24N2O2 and a molecular weight of 564.64 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
PubChem CID139304383
Molecular FormulaC40H24N2O2
Molecular Weight564.64 g/mol
Exact Mass564.18
IUPAC Name2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C40H24N2O2/c1-2-9-25(10-3-1)26-17-19-27(20-18-26)33-24-34(28-21-22-30-29-11-4-6-14-35(29)44-38(30)23-28)42-40(41-33)32-13-8-16-37-39(32)31-12-5-7-15-36(31)43-37/h1-24H
InChIKeyFPRVSSJEFBVHDR-UHFFFAOYSA-N
XLogP10.94
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613651
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-(4-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4,6-di(dibenzofuran-3-yl)-2-phenylpyrimidine;4,6-di(dibenzofuran-4-yl)-2-phenylpyrimidine;2,4,6-tri(dibenzofuran-1-yl)pyrimidine;2,4,6-tri(dibenzofuran-2-yl)pyrimidine;2,4,6-tri(dibenzofuran-3-yl)pyrimidine;2,4,6-tri(dibenzofuran-4-yl)pyrimidine
CID 159391384
4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146572638
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160830138
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine (CID 139304383) is 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is FPRVSSJEFBVHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O2/c1-2-9-25(10-3-1)26-17-19-27(20-18-26)33-24-34(28-21-22-30-29-11-4-6-14-35(29)44-38(30)23-28)42-40(41-33)32-13-8-16-37-39(32)31-12-5-7-15-36(31)43-37/h1-24H.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine?
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 564.64 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 139304383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).