4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine

C47H28N2O2 — CID 167340522

IUPAC4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C47H28N2O2/c1-3-14-29(15-4-1)39-28-40(30-16-5-2-6-17-30)49-46(48-39)32-19-13-25-43-45(32)34-26-33-31-18-7-8-20-35(31)47(38(33)27-44(34)51-43)36-21-9-11-23-41(36)50-42-24-12-10-22-37(42)47/h1-28H
InChIKeyCFGVZVOZJBNSPD-UHFFFAOYSA-N
MW652.75 g/mol
LogP11.85
Rot. Bonds3

About 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine

4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine (PubChem CID 167340522) has the molecular formula C47H28N2O2 and a molecular weight of 652.75 g/mol. Its IUPAC name is 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine
PubChem CID167340522
Molecular FormulaC47H28N2O2
Molecular Weight652.75 g/mol
Exact Mass652.22
IUPAC Name4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C47H28N2O2/c1-3-14-29(15-4-1)39-28-40(30-16-5-2-6-17-30)49-46(48-39)32-19-13-25-43-45(32)34-26-33-31-18-7-8-20-35(31)47(38(33)27-44(34)51-43)36-21-9-11-23-41(36)50-42-24-12-10-22-37(42)47/h1-28H
InChIKeyCFGVZVOZJBNSPD-UHFFFAOYSA-N
XLogP11.85
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.75
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine
CID 156559736
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine
CID 156560244
4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156559765
4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylpyrimidine
CID 167340635
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-9-ylpyrimidine
CID 167340456
2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156560159
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-3-ylpyrimidine
CID 167340500
2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 148867911
2-dibenzofuran-1-yl-4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 166738010
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378916
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine?
The IUPAC name of 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine (CID 167340522) is 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine?
The canonical SMILES for 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine?
The InChIKey is CFGVZVOZJBNSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2/c1-3-14-29(15-4-1)39-28-40(30-16-5-2-6-17-30)49-46(48-39)32-19-13-25-43-45(32)34-26-33-31-18-7-8-20-35(31)47(38(33)27-44(34)51-43)36-21-9-11-23-41(36)50-42-24-12-10-22-37(42)47/h1-28H.
What are the key properties of 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine?
4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine has a molecular weight of 652.75 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine is sourced from PubChem (CID 167340522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).