4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

C171H109N9O4 — CID 161385869

IUPAC4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)n2)cc1
InChIInChI=1S/3C44H28N2O.C39H25N3O/c1-3-11-29(12-4-1)30-19-23-32(24-20-30)39-28-40(46-44(45-39)34-13-5-2-6-14-34)33-25-21-31(22-26-33)38-27-35-15-7-8-16-36(35)43-42(38)37-17-9-10-18-41(37)47-43;1-3-11-31(12-4-1)40-28-41(46-44(45-40)32-13-5-2-6-14-32)37-25-24-34(35-15-7-8-16-36(35)37)30-21-19-29(20-22-30)33-23-26-43-39(27-33)38-17-9-10-18-42(38)47-43;1-3-9-29(10-4-1)30-15-19-33(20-16-30)39-28-40(46-44(45-39)35-12-5-2-6-13-35)34-21-17-31(18-22-34)36-23-25-38-42(27-36)47-41-26-24-32-11-7-8-14-37(32)43(38)41;1-3-10-27(11-4-1)37-40-38(28-12-5-2-6-13-28)42-39(41-37)29-20-18-26(19-21-29)30-14-9-15-31(24-30)32-22-23-36-34(25-32)33-16-7-8-17-35(33)43-36/h3*1-28H;1-25H
InChIKeyVSIKRTHUEPBRGO-UHFFFAOYSA-N
MW2353.81 g/mol
LogP45.70
Rot. Bonds20

About 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 161385869) has the molecular formula C171H109N9O4 and a molecular weight of 2353.81 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID161385869
Molecular FormulaC171H109N9O4
Molecular Weight2353.81 g/mol
Exact Mass2351.86
IUPAC Name4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)n2)cc1
InChIInChI=1S/3C44H28N2O.C39H25N3O/c1-3-11-29(12-4-1)30-19-23-32(24-20-30)39-28-40(46-44(45-39)34-13-5-2-6-14-34)33-25-21-31(22-26-33)38-27-35-15-7-8-16-36(35)43-42(38)37-17-9-10-18-41(37)47-43;1-3-11-31(12-4-1)40-28-41(46-44(45-40)32-13-5-2-6-14-32)37-25-24-34(35-15-7-8-16-36(35)37)30-21-19-29(20-22-30)33-23-26-43-39(27-33)38-17-9-10-18-42(38)47-43;1-3-9-29(10-4-1)30-15-19-33(20-16-30)39-28-40(46-44(45-39)35-12-5-2-6-13-35)34-21-17-31(18-22-34)36-23-25-38-42(27-36)47-41-26-24-32-11-7-8-14-37(32)43(38)41;1-3-10-27(11-4-1)37-40-38(28-12-5-2-6-13-28)42-39(41-37)29-20-18-26(19-21-29)30-14-9-15-31(24-30)32-22-23-36-34(25-32)33-16-7-8-17-35(33)43-36/h3*1-28H;1-25H
InChIKeyVSIKRTHUEPBRGO-UHFFFAOYSA-N
XLogP45.70
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002353.81
LogP ≤ 545.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine with MolForge

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Related Compounds

2-(4-dibenzofuran-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzofuran-2-ylphenyl)-6-[4-[3-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158936996
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 158535425
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-3-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 158640831
4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 155078757
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 159177432
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-3-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 160727910
2-dibenzofuran-4-yl-4-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614048
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164822821

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 161385869) is 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is VSIKRTHUEPBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H28N2O.C39H25N3O/c1-3-11-29(12-4-1)30-19-23-32(24-20-30)39-28-40(46-44(45-39)34-13-5-2-6-14-34)33-25-21-31(22-26-33)38-27-35-15-7-8-16-36(35)43-42(38)37-17-9-10-18-41(37)47-43;1-3-11-31(12-4-1)40-28-41(46-44(45-40)32-13-5-2-6-14-32)37-25-24-34(35-15-7-8-16-36(35)37)30-21-19-29(20-22-30)33-23-26-43-39(27-33)38-17-9-10-18-42(38)47-43;1-3-9-29(10-4-1)30-15-19-33(20-16-30)39-28-40(46-44(45-39)35-12-5-2-6-13-35)34-21-17-31(18-22-34)36-23-25-38-42(27-36)47-41-26-24-32-11-7-8-14-37(32)43(38)41;1-3-10-27(11-4-1)37-40-38(28-12-5-2-6-13-28)42-39(41-37)29-20-18-26(19-21-29)30-14-9-15-31(24-30)32-22-23-36-34(25-32)33-16-7-8-17-35(33)43-36/h3*1-28H;1-25H.
What are the key properties of 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 2353.81 g/mol, XLogP of 45.70, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 161385869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).