4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine

C92H54N4S4 — CID 137465827

About 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine

4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 137465827) has the molecular formula C92H54N4S4 and a molecular weight of 1343.74 g/mol. Its IUPAC name is 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

• Compound Name: 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine
• PubChem CID: 137465827
• Molecular Formula: C92H54N4S4
• Molecular Weight: 1343.74 g/mol
• Exact Mass: 1342.32
• IUPAC Name: 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine
• SMILES: c1ccc(-c2cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cc(-c5cccc(-c6cc(-c7cc(-c8ccc9sc%10ccccc%10c9c8)cc(-c8ccc9sc%10ccccc%10c9c8)c7)nc(-c7ccccc7)n6)c5)cc5c4sc4ccccc45)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C92H54N4S4/c1-4-20-55(21-5-1)79-53-81(95-91(93-79)56-22-6-2-7-23-56)68-47-65(69-32-19-33-74-70-28-10-16-36-85(70)99-89(69)74)46-66(48-68)75-51-64(52-78-73-31-13-17-37-86(73)100-90(75)78)58-26-18-27-61(42-58)80-54-82(96-92(94-80)57-24-8-3-9-25-57)67-44-62(59-38-40-87-76(49-59)71-29-11-14-34-83(71)97-87)43-63(45-67)60-39-41-88-77(50-60)72-30-12-15-35-84(72)98-88/h1-54H
• InChIKey: YNISHXZNOSDUEB-UHFFFAOYSA-N
• XLogP: 27.08
• TPSA: 51.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1343.74
LogP ≤ 5	27.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine?

The IUPAC name of 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine (CID 137465827) is 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine.

What is the SMILES notation for 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine?

The canonical SMILES for 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cc(-c5cccc(-c6cc(-c7cc(-c8ccc9sc%10ccccc%10c9c8)cc(-c8ccc9sc%10ccccc%10c9c8)c7)nc(-c7ccccc7)n6)c5)cc5c4sc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine?

The InChIKey is YNISHXZNOSDUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54N4S4/c1-4-20-55(21-5-1)79-53-81(95-91(93-79)56-22-6-2-7-23-56)68-47-65(69-32-19-33-74-70-28-10-16-36-85(70)99-89(69)74)46-66(48-68)75-51-64(52-78-73-31-13-17-37-86(73)100-90(75)78)58-26-18-27-61(42-58)80-54-82(96-92(94-80)57-24-8-3-9-25-57)67-44-62(59-38-40-87-76(49-59)71-29-11-14-34-83(71)97-87)43-63(45-67)60-39-41-88-77(50-60)72-30-12-15-35-84(72)98-88/h1-54H.

What are the key properties of 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine?

4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 1343.74 g/mol, XLogP of 27.08, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 137465827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).