4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine

C58H35N3O — CID 134573547

IUPAC4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4cc5c(cc43)oc3ccccc35)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C58H35N3O/c1-2-13-37(14-3-1)53-34-54(61-57(60-53)38-26-24-36(25-27-38)40-15-12-30-59-35-40)39-28-29-45-42-17-5-4-16-41(42)43-18-6-9-21-49(43)58(51(45)31-39)50-22-10-7-19-44(50)47-32-48-46-20-8-11-23-55(46)62-56(48)33-52(47)58/h1-35H
InChIKeyIGWQQZVTXZZCRH-UHFFFAOYSA-N
MW789.94 g/mol
LogP14.45
Rot. Bonds4

About 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine

4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine (PubChem CID 134573547) has the molecular formula C58H35N3O and a molecular weight of 789.94 g/mol. Its IUPAC name is 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine.

Molecular Properties

Compound Name4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
PubChem CID134573547
Molecular FormulaC58H35N3O
Molecular Weight789.94 g/mol
Exact Mass789.28
IUPAC Name4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4cc5c(cc43)oc3ccccc35)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C58H35N3O/c1-2-13-37(14-3-1)53-34-54(61-57(60-53)38-26-24-36(25-27-38)40-15-12-30-59-35-40)39-28-29-45-42-17-5-4-16-41(42)43-18-6-9-21-49(43)58(51(45)31-39)50-22-10-7-19-44(50)47-32-48-46-20-8-11-23-55(46)62-56(48)33-52(47)58/h1-35H
InChIKeyIGWQQZVTXZZCRH-UHFFFAOYSA-N
XLogP14.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.94
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573455
11'-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide
CID 134571616
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573611
4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573609
2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
CID 134251771
2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573604
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-9-ylpyrimidine
CID 167340456
2-phenyl-4-(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine
CID 130261378
2-dibenzofuran-2-yl-4-(3-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;2-dibenzofuran-3-yl-4-(3-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;2-dibenzofuran-3-yl-4-phenyl-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 158042977
4-dibenzofuran-3-yl-2-(3-phenylphenyl)-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]-11'-ylpyrimidine
CID 147777919
4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-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]-11'-ylpyrimidine
CID 149321962
4-dibenzofuran-2-yl-6-(3,5-diphenylphenyl)-2-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]-11'-ylpyrimidine
CID 153288108

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?
The IUPAC name of 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine (CID 134573547) is 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine.
What is the SMILES notation for 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?
The canonical SMILES for 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4cc5c(cc43)oc3ccccc35)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?
The InChIKey is IGWQQZVTXZZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O/c1-2-13-37(14-3-1)53-34-54(61-57(60-53)38-26-24-36(25-27-38)40-15-12-30-59-35-40)39-28-29-45-42-17-5-4-16-41(42)43-18-6-9-21-49(43)58(51(45)31-39)50-22-10-7-19-44(50)47-32-48-46-20-8-11-23-55(46)62-56(48)33-52(47)58/h1-35H.
What are the key properties of 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?
4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine has a molecular weight of 789.94 g/mol, XLogP of 14.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-pyridin-3-ylphenyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine is sourced from PubChem (CID 134573547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).