4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine

C116H66N4O6 — CID 146254883

About 4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine

4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 146254883) has the molecular formula C116H66N4O6 and a molecular weight of 1611.83 g/mol. Its IUPAC name is 4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
• PubChem CID: 146254883
• Molecular Formula: C116H66N4O6
• Molecular Weight: 1611.83 g/mol
• Exact Mass: 1610.50
• IUPAC Name: 4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5oc6c(-c7ccc8c(c7)oc7c(-c9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)c(-c%10cc(-c%11ccc(-c%12cccc%13c%12oc%12ccccc%12%13)cc%11)nc(-c%11ccccc%11)n%10)c9)cccc78)cccc6c5c4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc4oc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C116H66N4O6/c1-3-19-71(20-4-1)115-117-99(65-101(119-115)94-59-74(75-51-56-107-96(61-75)86-25-9-11-35-103(86)121-107)47-53-79(94)76-52-58-108-97(63-76)87-26-10-12-36-104(87)122-108)69-43-39-67(40-44-69)73-50-57-109-98(60-73)93-34-17-29-82(113(93)125-109)78-49-55-88-92-32-16-28-81(112(92)126-110(88)64-78)77-48-54-83(89-30-18-33-91-85-24-8-14-38-106(85)124-114(89)91)95(62-77)102-66-100(118-116(120-102)72-21-5-2-6-22-72)70-45-41-68(42-46-70)80-27-15-31-90-84-23-7-13-37-105(84)123-111(80)90/h1-66H
• InChIKey: GUDXEOAHXUGUMA-UHFFFAOYSA-N
• XLogP: 32.33
• TPSA: 130.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1611.83
LogP ≤ 5	32.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine (CID 146254883) is 4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine.

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

The canonical SMILES for 4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5oc6c(-c7ccc8c(c7)oc7c(-c9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)c(-c%10cc(-c%11ccc(-c%12cccc%13c%12oc%12ccccc%12%13)cc%11)nc(-c%11ccccc%11)n%10)c9)cccc78)cccc6c5c4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc4oc5ccccc5c4c3)n2)cc1.

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

The InChIKey is GUDXEOAHXUGUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H66N4O6/c1-3-19-71(20-4-1)115-117-99(65-101(119-115)94-59-74(75-51-56-107-96(61-75)86-25-9-11-35-103(86)121-107)47-53-79(94)76-52-58-108-97(63-76)87-26-10-12-36-104(87)122-108)69-43-39-67(40-44-69)73-50-57-109-98(60-73)93-34-17-29-82(113(93)125-109)78-49-55-88-92-32-16-28-81(112(92)126-110(88)64-78)77-48-54-83(89-30-18-33-91-85-24-8-14-38-106(85)124-114(89)91)95(62-77)102-66-100(118-116(120-102)72-21-5-2-6-22-72)70-45-41-68(42-46-70)80-27-15-31-90-84-23-7-13-37-105(84)123-111(80)90/h1-66H.

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

4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 1611.83 g/mol, XLogP of 32.33, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 146254883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).