4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine

C53H34N2O2 — CID 155442470

IUPAC4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
SMILESC1=Cc2oc3cc(-c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccccc76)cc5)nc(-c5ccccc5)n4)ccc3c2CC1
InChIInChI=1S/C53H34N2O2/c1-2-12-35(13-3-1)52-54-46(32-47(55-52)37-26-28-41-40-16-6-10-20-48(40)56-51(41)31-37)34-24-22-33(23-25-34)36-27-29-50-45(30-36)53(44-19-9-11-21-49(44)57-50)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53/h1-5,7-15,17-32H,6,16H2
InChIKeyYWFUCNARTCVYJT-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.32
Rot. Bonds4

About 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine

4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine (PubChem CID 155442470) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
PubChem CID155442470
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC Name4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
SMILESC1=Cc2oc3cc(-c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccccc76)cc5)nc(-c5ccccc5)n4)ccc3c2CC1
InChIInChI=1S/C53H34N2O2/c1-2-12-35(13-3-1)52-54-46(32-47(55-52)37-26-28-41-40-16-6-10-20-48(40)56-51(41)31-37)34-24-22-33(23-25-34)36-27-29-50-45(30-36)53(44-19-9-11-21-49(44)57-50)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53/h1-5,7-15,17-32H,6,16H2
InChIKeyYWFUCNARTCVYJT-UHFFFAOYSA-N
XLogP13.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378916
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-3-ylpyrimidine
CID 167340500
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197

Frequently Asked Questions

What is the IUPAC name of 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The IUPAC name of 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine (CID 155442470) is 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The canonical SMILES for 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine is C1=Cc2oc3cc(-c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccccc76)cc5)nc(-c5ccccc5)n4)ccc3c2CC1.
What is the InChIKey of 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The InChIKey is YWFUCNARTCVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-2-12-35(13-3-1)52-54-46(32-47(55-52)37-26-28-41-40-16-6-10-20-48(40)56-51(41)31-37)34-24-22-33(23-25-34)36-27-29-50-45(30-36)53(44-19-9-11-21-49(44)57-50)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53/h1-5,7-15,17-32H,6,16H2.
What are the key properties of 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine has a molecular weight of 730.87 g/mol, XLogP of 13.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine is sourced from PubChem (CID 155442470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).