4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine

C59H36N2O2 — CID 167348949

IUPAC4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C59H36N2O2/c1-3-17-37(18-4-1)39-33-34-42(47(35-39)38-19-5-2-6-20-38)52-36-53(45-25-15-24-44-43-23-9-13-31-54(43)62-56(44)45)61-58(60-52)46-26-16-30-51-57(46)63-55-32-14-12-29-50(55)59(51)48-27-10-7-21-40(48)41-22-8-11-28-49(41)59/h1-36H
InChIKeyNRXRBKYREMEIEM-UHFFFAOYSA-N
MW804.95 g/mol
LogP15.18
Rot. Bonds5

About 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine

4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine (PubChem CID 167348949) has the molecular formula C59H36N2O2 and a molecular weight of 804.95 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
PubChem CID167348949
Molecular FormulaC59H36N2O2
Molecular Weight804.95 g/mol
Exact Mass804.28
IUPAC Name4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C59H36N2O2/c1-3-17-37(18-4-1)39-33-34-42(47(35-39)38-19-5-2-6-20-38)52-36-53(45-25-15-24-44-43-23-9-13-31-54(43)62-56(44)45)61-58(60-52)46-26-16-30-51-57(46)63-55-32-14-12-29-50(55)59(51)48-27-10-7-21-40(48)41-22-8-11-28-49(41)59/h1-36H
InChIKeyNRXRBKYREMEIEM-UHFFFAOYSA-N
XLogP15.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine
CID 167348999
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
4-dibenzofuran-4-yl-2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 167349016
2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 166710660
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 146969373
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153252602
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
4-dibenzothiophen-4-yl-6-[2-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 167349367
4-dibenzofuran-4-yl-2-[4-[8-(2-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'-ylpyrimidin-4-yl)dibenzofuran-3-yl]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 163742051
4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 158575823

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine (CID 167348949) is 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
The InChIKey is NRXRBKYREMEIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2/c1-3-17-37(18-4-1)39-33-34-42(47(35-39)38-19-5-2-6-20-38)52-36-53(45-25-15-24-44-43-23-9-13-31-54(43)62-56(44)45)61-58(60-52)46-26-16-30-51-57(46)63-55-32-14-12-29-50(55)59(51)48-27-10-7-21-40(48)41-22-8-11-28-49(41)59/h1-36H.
What are the key properties of 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine?
4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine has a molecular weight of 804.95 g/mol, XLogP of 15.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine is sourced from PubChem (CID 167348949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).