2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C98H62N4O2 — CID 123166635

About 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 123166635) has the molecular formula C98H62N4O2 and a molecular weight of 1327.60 g/mol. Its IUPAC name is 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 123166635
• Molecular Formula: C98H62N4O2
• Molecular Weight: 1327.60 g/mol
• Exact Mass: 1326.49
• IUPAC Name: 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccc(-c9cccc(-c%10ccc(-c%11cccc(-c%12nc(-c%13ccccc%13)c%13oc%14ccccc%14c%13n%12)c%11)cc%10)c9)cc8)c7)c6)c5)c5oc6ccccc6c5n4)c3)c2)cc1
• InChI: InChI=1S/C98H62N4O2/c1-5-22-63(23-6-1)81-57-82(64-24-7-2-8-25-64)59-84(58-81)77-36-21-39-80(56-77)98-100-92(96-94(102-98)88-41-14-16-43-90(88)104-96)78-37-19-35-76(54-78)86-61-83(65-26-9-3-10-27-65)60-85(62-86)75-34-18-32-73(53-75)68-46-44-66(45-47-68)71-30-17-31-72(52-71)67-48-50-69(51-49-67)74-33-20-38-79(55-74)97-99-91(70-28-11-4-12-29-70)95-93(101-97)87-40-13-15-42-89(87)103-95/h1-62H
• InChIKey: FFTCCSKGFLTASG-UHFFFAOYSA-N
• XLogP: 26.40
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.60
LogP ≤ 5	26.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 123166635) is 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccc(-c9cccc(-c%10ccc(-c%11cccc(-c%12nc(-c%13ccccc%13)c%13oc%14ccccc%14c%13n%12)c%11)cc%10)c9)cc8)c7)c6)c5)c5oc6ccccc6c5n4)c3)c2)cc1.

What is the InChIKey of 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is FFTCCSKGFLTASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H62N4O2/c1-5-22-63(23-6-1)81-57-82(64-24-7-2-8-25-64)59-84(58-81)77-36-21-39-80(56-77)98-100-92(96-94(102-98)88-41-14-16-43-90(88)104-96)78-37-19-35-76(54-78)86-61-83(65-26-9-3-10-27-65)60-85(62-86)75-34-18-32-73(53-75)68-46-44-66(45-47-68)71-30-17-31-72(52-71)67-48-50-69(51-49-67)74-33-20-38-79(55-74)97-99-91(70-28-11-4-12-29-70)95-93(101-97)87-40-13-15-42-89(87)103-95/h1-62H.

What are the key properties of 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?

2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1327.60 g/mol, XLogP of 26.40, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 123166635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).