4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine

C52H32N2O2 — CID 155078757

IUPAC4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C52H32N2O2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)45-32-46(54-52(53-45)35-18-8-3-9-19-35)43-27-26-40(50-44-21-11-13-23-48(44)56-51(43)50)36-24-25-42-41-20-10-12-22-47(41)55-49(42)31-36/h1-32H
InChIKeyXVTMWHVVAWLORL-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.28
Rot. Bonds6

About 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine

4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine (PubChem CID 155078757) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
PubChem CID155078757
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC Name4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C52H32N2O2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)45-32-46(54-52(53-45)35-18-8-3-9-19-35)43-27-26-40(50-44-21-11-13-23-48(44)56-51(43)50)36-24-25-42-41-20-10-12-22-47(41)55-49(42)31-36/h1-32H
InChIKeyXVTMWHVVAWLORL-UHFFFAOYSA-N
XLogP14.28
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 159720364
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077748
2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155079176
4-(1-dibenzofuran-2-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078324
4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155077811
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2,6-diphenylpyrimidine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158395903
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077815

Frequently Asked Questions

What is the IUPAC name of 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine (CID 155078757) is 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine?
The InChIKey is XVTMWHVVAWLORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)45-32-46(54-52(53-45)35-18-8-3-9-19-35)43-27-26-40(50-44-21-11-13-23-48(44)56-51(43)50)36-24-25-42-41-20-10-12-22-47(41)55-49(42)31-36/h1-32H.
What are the key properties of 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine?
4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine has a molecular weight of 716.84 g/mol, XLogP of 14.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 155078757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).