4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

C52H32N2O2 — CID 158177029

IUPAC4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6c5oc5ccccc56)cc4)n3)cc2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-45(36-14-5-2-6-15-36)32-46(54-52)37-26-24-35(25-27-37)39-30-31-41(49-44-17-8-10-21-48(44)56-51(39)49)43-19-11-18-42-40-16-7-9-20-47(40)55-50(42)43/h1-32H
InChIKeyRQUCPLXBDHHMDF-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.28
Rot. Bonds6

About 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 158177029) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID158177029
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC Name4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6c5oc5ccccc56)cc4)n3)cc2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-45(36-14-5-2-6-15-36)32-46(54-52)37-26-24-35(25-27-37)39-30-31-41(49-44-17-8-10-21-48(44)56-51(39)49)43-19-11-18-42-40-16-7-9-20-47(40)55-50(42)43/h1-32H
InChIKeyRQUCPLXBDHHMDF-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-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155077740
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078777
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155077744
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 155079146
4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 164835215
4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155079198
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160830138

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 158177029) is 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6c5oc5ccccc56)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is RQUCPLXBDHHMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-45(36-14-5-2-6-15-36)32-46(54-52)37-26-24-35(25-27-37)39-30-31-41(49-44-17-8-10-21-48(44)56-51(39)49)43-19-11-18-42-40-16-7-9-20-47(40)55-50(42)43/h1-32H.
What are the key properties of 4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine 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-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 158177029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).