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

C58H36N2O2 — CID 167348960

IUPAC4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3nc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)c(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C58H36N2O2/c1-4-18-37(19-5-1)40-34-49(39-22-8-3-9-23-39)55(50(35-40)42-25-11-10-24-41(42)38-20-6-2-7-21-38)58-59-51(47-30-16-28-45-43-26-12-14-32-53(43)61-56(45)47)36-52(60-58)48-31-17-29-46-44-27-13-15-33-54(44)62-57(46)48/h1-36H
InChIKeyWEMUUIHBXREOCN-UHFFFAOYSA-N
MW792.94 g/mol
LogP15.94
Rot. Bonds7

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

4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine (PubChem CID 167348960) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine
PubChem CID167348960
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3nc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)c(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C58H36N2O2/c1-4-18-37(19-5-1)40-34-49(39-22-8-3-9-23-39)55(50(35-40)42-25-11-10-24-41(42)38-20-6-2-7-21-38)58-59-51(47-30-16-28-45-43-26-12-14-32-53(43)61-56(45)47)36-52(60-58)48-31-17-29-46-44-27-13-15-33-54(44)62-57(46)48/h1-36H
InChIKeyWEMUUIHBXREOCN-UHFFFAOYSA-N
XLogP15.94
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 515.94
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-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349118
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079215
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
2-dibenzofuran-4-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079173
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078968

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine?
The IUPAC name of 4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine (CID 167348960) is 4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)c(-c3nc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)c(-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine?
The InChIKey is WEMUUIHBXREOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-4-18-37(19-5-1)40-34-49(39-22-8-3-9-23-39)55(50(35-40)42-25-11-10-24-41(42)38-20-6-2-7-21-38)58-59-51(47-30-16-28-45-43-26-12-14-32-53(43)61-56(45)47)36-52(60-58)48-31-17-29-46-44-27-13-15-33-54(44)62-57(46)48/h1-36H.
What are the key properties of 4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine?
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine has a molecular weight of 792.94 g/mol, XLogP of 15.94, 7 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-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 167348960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).