5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline

C43H27N3O — CID 154949961

IUPAC5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)cc(-c3cccc4ncccc34)c2)cc1
InChIInChI=1S/C43H27N3O/c1-3-12-28(13-4-1)30-24-31(33-17-10-21-38-34(33)20-11-23-44-38)26-32(25-30)39-27-40(46-43(45-39)29-14-5-2-6-15-29)37-19-9-18-36-35-16-7-8-22-41(35)47-42(36)37/h1-27H
InChIKeyPXPFWJJTBMFWAU-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

About 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline

5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline (PubChem CID 154949961) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline.

Molecular Properties

Compound Name5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
PubChem CID154949961
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)cc(-c3cccc4ncccc34)c2)cc1
InChIInChI=1S/C43H27N3O/c1-3-12-28(13-4-1)30-24-31(33-17-10-21-38-34(33)20-11-23-44-38)26-32(25-30)39-27-40(46-43(45-39)29-14-5-2-6-15-29)37-19-9-18-36-35-16-7-8-22-41(35)47-42(36)37/h1-27H
InChIKeyPXPFWJJTBMFWAU-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155078142
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
5-[4-[4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155079173
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 151172267
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
5-[4-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155077896
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171584288

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline?
The IUPAC name of 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline (CID 154949961) is 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline.
What is the SMILES notation for 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline?
The canonical SMILES for 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline is c1ccc(-c2cc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)cc(-c3cccc4ncccc34)c2)cc1.
What is the InChIKey of 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline?
The InChIKey is PXPFWJJTBMFWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-3-12-28(13-4-1)30-24-31(33-17-10-21-38-34(33)20-11-23-44-38)26-32(25-30)39-27-40(46-43(45-39)29-14-5-2-6-15-29)37-19-9-18-36-35-16-7-8-22-41(35)47-42(36)37/h1-27H.
What are the key properties of 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline?
5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline is sourced from PubChem (CID 154949961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).