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

C56H36N2O — CID 171585617

IUPAC4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C56H36N2O/c1-4-16-37(17-5-1)41-30-31-47(38-18-6-2-7-19-38)51(35-41)53-36-52(57-56(58-53)40-21-8-3-9-22-40)44-33-42(46-26-14-23-39-20-10-11-24-45(39)46)32-43(34-44)48-27-15-28-50-49-25-12-13-29-54(49)59-55(48)50/h1-36H
InChIKeyNZVRQLVFSQHFMZ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.20
Rot. Bonds7

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

4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine (PubChem CID 171585617) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
PubChem CID171585617
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C56H36N2O/c1-4-16-37(17-5-1)41-30-31-47(38-18-6-2-7-19-38)51(35-41)53-36-52(57-56(58-53)40-21-8-3-9-22-40)44-33-42(46-26-14-23-39-20-10-11-24-45(39)46)32-43(34-44)48-27-15-28-50-49-25-12-13-29-54(49)59-55(48)50/h1-36H
InChIKeyNZVRQLVFSQHFMZ-UHFFFAOYSA-N
XLogP15.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 159701721
2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
CID 130361249
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-phenanthren-3-yl-2-phenylpyrimidine
CID 171582841
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171584288
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160528168
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 146254883
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine (CID 171585617) is 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine is c1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine?
The InChIKey is NZVRQLVFSQHFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-4-16-37(17-5-1)41-30-31-47(38-18-6-2-7-19-38)51(35-41)53-36-52(57-56(58-53)40-21-8-3-9-22-40)44-33-42(46-26-14-23-39-20-10-11-24-45(39)46)32-43(34-44)48-27-15-28-50-49-25-12-13-29-54(49)59-55(48)50/h1-36H.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine?
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine has a molecular weight of 752.92 g/mol, XLogP of 15.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 171585617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).