4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine

C170H109N5O5 — CID 159180017

IUPAC4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCc1cnc2c(c1)oc1ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc12.c1ccc(-c2cc(-c3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H33NO.C47H29NO2.C35H24N2O.C35H23NO/c1-2-10-37(11-3-1)50-32-41(33-51(54-50)38-24-22-35(23-25-38)40-27-29-53-49(31-40)47-16-8-9-17-52(47)55-53)36-20-18-34(19-21-36)39-26-28-46-44-14-5-4-12-42(44)43-13-6-7-15-45(43)48(46)30-39;1-3-13-30(14-4-1)40-28-33(29-41(48-40)31-15-5-2-6-16-31)32-25-34(36-19-11-23-44-46(36)38-17-7-9-21-42(38)49-44)27-35(26-32)37-20-12-24-45-47(37)39-18-8-10-22-43(39)50-45;1-23-18-34-35(36-22-23)30-19-28(16-17-33(30)38-34)24-12-14-25(15-13-24)29-20-31(26-8-4-2-5-9-26)37-32(21-29)27-10-6-3-7-11-27;1-3-9-26(10-4-1)32-22-29(23-33(36-32)27-11-5-2-6-12-27)25-17-15-24(16-18-25)28-19-20-35-31(21-28)30-13-7-8-14-34(30)37-35/h1-33H;1-29H;2-22H,1H3;1-23H
InChIKeyKMTPLUIOYLCTIU-UHFFFAOYSA-N
MW2301.77 g/mol
LogP46.99
Rot. Bonds18

About 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine

4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 159180017) has the molecular formula C170H109N5O5 and a molecular weight of 2301.77 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine
PubChem CID159180017
Molecular FormulaC170H109N5O5
Molecular Weight2301.77 g/mol
Exact Mass2299.84
IUPAC Name4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCc1cnc2c(c1)oc1ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc12.c1ccc(-c2cc(-c3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H33NO.C47H29NO2.C35H24N2O.C35H23NO/c1-2-10-37(11-3-1)50-32-41(33-51(54-50)38-24-22-35(23-25-38)40-27-29-53-49(31-40)47-16-8-9-17-52(47)55-53)36-20-18-34(19-21-36)39-26-28-46-44-14-5-4-12-42(44)43-13-6-7-15-45(43)48(46)30-39;1-3-13-30(14-4-1)40-28-33(29-41(48-40)31-15-5-2-6-16-31)32-25-34(36-19-11-23-44-46(36)38-17-7-9-21-42(38)49-44)27-35(26-32)37-20-12-24-45-47(37)39-18-8-10-22-43(39)50-45;1-23-18-34-35(36-22-23)30-19-28(16-17-33(30)38-34)24-12-14-25(15-13-24)29-20-31(26-8-4-2-5-9-26)37-32(21-29)27-10-6-3-7-11-27;1-3-9-26(10-4-1)32-22-29(23-33(36-32)27-11-5-2-6-12-27)25-17-15-24(16-18-25)28-19-20-35-31(21-28)30-13-7-8-14-34(30)37-35/h1-33H;1-29H;2-22H,1H3;1-23H
InChIKeyKMTPLUIOYLCTIU-UHFFFAOYSA-N
XLogP46.99
TPSA130.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms180
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002301.77
LogP ≤ 546.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine (CID 159180017) is 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine is Cc1cnc2c(c1)oc1ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc12.c1ccc(-c2cc(-c3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is KMTPLUIOYLCTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO.C47H29NO2.C35H24N2O.C35H23NO/c1-2-10-37(11-3-1)50-32-41(33-51(54-50)38-24-22-35(23-25-38)40-27-29-53-49(31-40)47-16-8-9-17-52(47)55-53)36-20-18-34(19-21-36)39-26-28-46-44-14-5-4-12-42(44)43-13-6-7-15-45(43)48(46)30-39;1-3-13-30(14-4-1)40-28-33(29-41(48-40)31-15-5-2-6-16-31)32-25-34(36-19-11-23-44-46(36)38-17-7-9-21-42(38)49-44)27-35(26-32)37-20-12-24-45-47(37)39-18-8-10-22-43(39)50-45;1-23-18-34-35(36-22-23)30-19-28(16-17-33(30)38-34)24-12-14-25(15-13-24)29-20-31(26-8-4-2-5-9-26)37-32(21-29)27-10-6-3-7-11-27;1-3-9-26(10-4-1)32-22-29(23-33(36-32)27-11-5-2-6-12-27)25-17-15-24(16-18-25)28-19-20-35-31(21-28)30-13-7-8-14-34(30)37-35/h1-33H;1-29H;2-22H,1H3;1-23H.
What are the key properties of 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine?
4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 2301.77 g/mol, XLogP of 46.99, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyridine;2-(4-dibenzofuran-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-2,6-diphenylpyridine;8-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-methyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 159180017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).