2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine

C82H52N4 — CID 88562659

IUPAC2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)nc(-c7ccccc7)n6)cc5)cc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C82H52N4/c1-3-19-55(20-4-1)79-83-75(49-77(85-79)57-43-45-65-63-27-11-17-33-71(63)81(73(65)47-57)67-29-13-7-23-59(67)60-24-8-14-30-68(60)81)53-39-35-51(36-40-53)52-37-41-54(42-38-52)76-50-78(86-80(84-76)56-21-5-2-6-22-56)58-44-46-66-64-28-12-18-34-72(64)82(74(66)48-58)69-31-15-9-25-61(69)62-26-10-16-32-70(62)82/h1-9,11-25,27-50H,10,26H2
InChIKeyRCWATBLCUNOXPJ-UHFFFAOYSA-N
MW1093.35 g/mol
LogP19.71
Rot. Bonds7

About 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine

2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine (PubChem CID 88562659) has the molecular formula C82H52N4 and a molecular weight of 1093.35 g/mol. Its IUPAC name is 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine
PubChem CID88562659
Molecular FormulaC82H52N4
Molecular Weight1093.35 g/mol
Exact Mass1092.42
IUPAC Name2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)nc(-c7ccccc7)n6)cc5)cc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C82H52N4/c1-3-19-55(20-4-1)79-83-75(49-77(85-79)57-43-45-65-63-27-11-17-33-71(63)81(73(65)47-57)67-29-13-7-23-59(67)60-24-8-14-30-68(60)81)53-39-35-51(36-40-53)52-37-41-54(42-38-52)76-50-78(86-80(84-76)56-21-5-2-6-22-56)58-44-46-66-64-28-12-18-34-72(64)82(74(66)48-58)69-31-15-9-25-61(69)62-26-10-16-32-70(62)82/h1-9,11-25,27-50H,10,26H2
InChIKeyRCWATBLCUNOXPJ-UHFFFAOYSA-N
XLogP19.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.35
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine?
The IUPAC name of 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine (CID 88562659) is 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine.
What is the SMILES notation for 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine?
The canonical SMILES for 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)nc(-c7ccccc7)n6)cc5)cc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine?
The InChIKey is RCWATBLCUNOXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52N4/c1-3-19-55(20-4-1)79-83-75(49-77(85-79)57-43-45-65-63-27-11-17-33-71(63)81(73(65)47-57)67-29-13-7-23-59(67)60-24-8-14-30-68(60)81)53-39-35-51(36-40-53)52-37-41-54(42-38-52)76-50-78(86-80(84-76)56-21-5-2-6-22-56)58-44-46-66-64-28-12-18-34-72(64)82(74(66)48-58)69-31-15-9-25-61(69)62-26-10-16-32-70(62)82/h1-9,11-25,27-50H,10,26H2.
What are the key properties of 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine?
2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine has a molecular weight of 1093.35 g/mol, XLogP of 19.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylpyrimidine is sourced from PubChem (CID 88562659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).