4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine

C52H32N2O2 — CID 167349519

IUPAC4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccccc4)c3-c3nc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-14-33(15-4-1)34-28-30-36(31-29-34)38-21-11-20-37(35-16-5-2-6-17-35)49(38)52-53-45(43-24-12-22-41-39-18-7-9-26-47(39)55-50(41)43)32-46(54-52)44-25-13-23-42-40-19-8-10-27-48(40)56-51(42)44/h1-32H
InChIKeyQSWGXESOYAESDM-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.28
Rot. Bonds6

About 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine

4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine (PubChem CID 167349519) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
PubChem CID167349519
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC Name4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccccc4)c3-c3nc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C52H32N2O2/c1-3-14-33(15-4-1)34-28-30-36(31-29-34)38-21-11-20-37(35-16-5-2-6-17-35)49(38)52-53-45(43-24-12-22-41-39-18-7-9-26-47(39)55-50(41)43)32-46(54-52)44-25-13-23-42-40-19-8-10-27-48(40)56-51(42)44/h1-32H
InChIKeyQSWGXESOYAESDM-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

4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349534
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine
CID 167348960
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine?
The IUPAC name of 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine (CID 167349519) is 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine is c1ccc(-c2ccc(-c3cccc(-c4ccccc4)c3-c3nc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine?
The InChIKey is QSWGXESOYAESDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-3-14-33(15-4-1)34-28-30-36(31-29-34)38-21-11-20-37(35-16-5-2-6-17-35)49(38)52-53-45(43-24-12-22-41-39-18-7-9-26-47(39)55-50(41)43)32-46(54-52)44-25-13-23-42-40-19-8-10-27-48(40)56-51(42)44/h1-32H.
What are the key properties of 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine?
4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]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 4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 167349519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).