4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine

C119H77N5OS — CID 161366798

About 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine

4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine (PubChem CID 161366798) has the molecular formula C119H77N5OS and a molecular weight of 1625.03 g/mol. Its IUPAC name is 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

• Compound Name: 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine
• PubChem CID: 161366798
• Molecular Formula: C119H77N5OS
• Molecular Weight: 1625.03 g/mol
• Exact Mass: 1623.58
• IUPAC Name: 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine
• SMILES: c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5ccccc45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cncc(-c5ccc6oc7ccccc7c6c5)c4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C62H40N2S.C57H37N3O/c1-5-17-41(18-6-1)57-37-48(38-58(63-57)42-19-7-2-8-20-42)46-33-47(49-39-59(43-21-9-3-10-22-43)64-60(40-49)44-23-11-4-12-24-44)35-50(34-46)52-31-30-51(53-25-13-14-26-54(52)53)45-29-32-62-56(36-45)55-27-15-16-28-61(55)65-62;1-5-15-38(16-6-1)52-32-46(33-53(59-52)39-17-7-2-8-18-39)43-27-44(47-34-54(40-19-9-3-10-20-40)60-55(35-47)41-21-11-4-12-22-41)29-45(28-43)49-30-48(36-58-37-49)42-25-26-57-51(31-42)50-23-13-14-24-56(50)61-57/h1-40H;1-37H
• InChIKey: VPXPMPNSUKTWBQ-UHFFFAOYSA-N
• XLogP: 32.44
• TPSA: 77.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1625.03
LogP ≤ 5	32.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine?

The IUPAC name of 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine (CID 161366798) is 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine.

What is the SMILES notation for 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine?

The canonical SMILES for 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5ccccc45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4cncc(-c5ccc6oc7ccccc7c6c5)c4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine?

The InChIKey is VPXPMPNSUKTWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2S.C57H37N3O/c1-5-17-41(18-6-1)57-37-48(38-58(63-57)42-19-7-2-8-20-42)46-33-47(49-39-59(43-21-9-3-10-22-43)64-60(40-49)44-23-11-4-12-24-44)35-50(34-46)52-31-30-51(53-25-13-14-26-54(52)53)45-29-32-62-56(36-45)55-27-15-16-28-61(55)65-62;1-5-15-38(16-6-1)52-32-46(33-53(59-52)39-17-7-2-8-18-39)43-27-44(47-34-54(40-19-9-3-10-20-40)60-55(35-47)41-21-11-4-12-22-41)29-45(28-43)49-30-48(36-58-37-49)42-25-26-57-51(31-42)50-23-13-14-24-56(50)61-57/h1-40H;1-37H.

What are the key properties of 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine?

4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine has a molecular weight of 1625.03 g/mol, XLogP of 32.44, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-dibenzofuran-2-yl-3-pyridinyl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine;4-[3-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 161366798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).