2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine

C106H66N4O2 — CID 146343142

About 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine

2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine (PubChem CID 146343142) has the molecular formula C106H66N4O2 and a molecular weight of 1427.72 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine
• PubChem CID: 146343142
• Molecular Formula: C106H66N4O2
• Molecular Weight: 1427.72 g/mol
• Exact Mass: 1426.52
• IUPAC Name: 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)nc(-c3cccc(-c4ccc5c(c4)C4(c6cc(-c7ccccc7-c7ccccc7-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C106H66N4O2/c1-4-28-67(29-5-1)95-65-97(75-36-27-35-72(61-75)77-38-10-11-39-78(77)73-55-58-101-93(63-73)105(91-52-24-25-53-99(91)111-101)87-48-20-16-43-82(87)83-44-17-21-49-88(83)105)109-104(108-95)76-37-26-34-70(60-76)71-54-57-100-92(62-71)106(89-50-22-18-45-84(89)85-46-19-23-51-90(85)106)94-64-74(56-59-102(94)112-100)79-40-12-13-41-80(79)81-42-14-15-47-86(81)98-66-96(68-30-6-2-7-31-68)107-103(110-98)69-32-8-3-9-33-69/h1-66H
• InChIKey: KJLPBLCEVRSFLN-UHFFFAOYSA-N
• XLogP: 26.54
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1427.72
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine?

The IUPAC name of 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine (CID 146343142) is 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine.

What is the SMILES notation for 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine?

The canonical SMILES for 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4ccccc4-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)nc(-c3cccc(-c4ccc5c(c4)C4(c6cc(-c7ccccc7-c7ccccc7-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6O5)c5ccccc5-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine?

The InChIKey is KJLPBLCEVRSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N4O2/c1-4-28-67(29-5-1)95-65-97(75-36-27-35-72(61-75)77-38-10-11-39-78(77)73-55-58-101-93(63-73)105(91-52-24-25-53-99(91)111-101)87-48-20-16-43-82(87)83-44-17-21-49-88(83)105)109-104(108-95)76-37-26-34-70(60-76)71-54-57-100-92(62-71)106(89-50-22-18-45-84(89)85-46-19-23-51-90(85)106)94-64-74(56-59-102(94)112-100)79-40-12-13-41-80(79)81-42-14-15-47-86(81)98-66-96(68-30-6-2-7-31-68)107-103(110-98)69-32-8-3-9-33-69/h1-66H.

What are the key properties of 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine?

2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine has a molecular weight of 1427.72 g/mol, XLogP of 26.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 146343142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).