2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine

C82H50N4 — CID 88557917

IUPAC2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)nc(-c6ccccc6)n5)cc4)cc3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C82H50N4/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/h1-50H
InChIKeyGGYIKZRYODPHPN-UHFFFAOYSA-N
MW1091.33 g/mol
LogP19.62
Rot. Bonds7

About 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine

2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine (PubChem CID 88557917) has the molecular formula C82H50N4 and a molecular weight of 1091.33 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-(9,9'-spirobi[fluorene]-2-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
PubChem CID88557917
Molecular FormulaC82H50N4
Molecular Weight1091.33 g/mol
Exact Mass1090.40
IUPAC Name2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)nc(-c6ccccc6)n5)cc4)cc3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C82H50N4/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/h1-50H
InChIKeyGGYIKZRYODPHPN-UHFFFAOYSA-N
XLogP19.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.33
LogP ≤ 519.62
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-(9,9'-spirobi[fluorene]-2-yl)pyrimidine 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-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The IUPAC name of 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine (CID 88557917) is 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine.
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-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The canonical SMILES for 2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)nc(-c6ccccc6)n5)cc4)cc3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.
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-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The InChIKey is GGYIKZRYODPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N4/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/h1-50H.
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-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
2-phenyl-4-[4-[4-[2-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine has a molecular weight of 1091.33 g/mol, XLogP of 19.62, 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-(9,9'-spirobi[fluorene]-2-yl)pyrimidine is sourced from PubChem (CID 88557917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).