4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine

C58H36N2O2 — CID 171583600

IUPAC4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C58H36N2O2/c1-3-13-37(14-4-1)39-17-11-19-41(29-39)45-31-46(42-26-28-56-51(34-42)49-22-8-10-24-55(49)61-56)33-47(32-45)53-36-52(59-58(60-53)38-15-5-2-6-16-38)44-20-12-18-40(30-44)43-25-27-50-48-21-7-9-23-54(48)62-57(50)35-43/h1-36H
InChIKeyZNEFOPHQKOYNGW-UHFFFAOYSA-N
MW792.94 g/mol
LogP15.94
Rot. Bonds7

About 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine

4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine (PubChem CID 171583600) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
PubChem CID171583600
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C58H36N2O2/c1-3-13-37(14-4-1)39-17-11-19-41(29-39)45-31-46(42-26-28-56-51(34-42)49-22-8-10-24-55(49)61-56)33-47(32-45)53-36-52(59-58(60-53)38-15-5-2-6-16-38)44-20-12-18-40(30-44)43-25-27-50-48-21-7-9-23-54(48)62-57(50)35-43/h1-36H
InChIKeyZNEFOPHQKOYNGW-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-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
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-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine (CID 171583600) is 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine?
The InChIKey is ZNEFOPHQKOYNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-3-13-37(14-4-1)39-17-11-19-41(29-39)45-31-46(42-26-28-56-51(34-42)49-22-8-10-24-55(49)61-56)33-47(32-45)53-36-52(59-58(60-53)38-15-5-2-6-16-38)44-20-12-18-40(30-44)43-25-27-50-48-21-7-9-23-54(48)62-57(50)35-43/h1-36H.
What are the key properties of 4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine 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-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171583600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).