2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine

C52H38N2O — CID 146352222

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)C7(CCCCC7)c7ccccc7-8)cc6c5c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H38N2O/c1-4-12-34(13-5-1)35-18-20-36(21-19-35)47-33-48(54-51(53-47)37-14-6-2-7-15-37)40-24-27-50-44(31-40)43-30-38(23-26-49(43)55-50)39-22-25-42-41-16-8-9-17-45(41)52(46(42)32-39)28-10-3-11-29-52/h1-2,4-9,12-27,30-33H,3,10-11,28-29H2
InChIKeyKVJBNEGMZKEFIY-UHFFFAOYSA-N
MW706.89 g/mol
LogP13.94
Rot. Bonds5

About 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine

2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine (PubChem CID 146352222) has the molecular formula C52H38N2O and a molecular weight of 706.89 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine
PubChem CID146352222
Molecular FormulaC52H38N2O
Molecular Weight706.89 g/mol
Exact Mass706.30
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)C7(CCCCC7)c7ccccc7-8)cc6c5c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H38N2O/c1-4-12-34(13-5-1)35-18-20-36(21-19-35)47-33-48(54-51(53-47)37-14-6-2-7-15-37)40-24-27-50-44(31-40)43-30-38(23-26-49(43)55-50)39-22-25-42-41-16-8-9-17-45(41)52(46(42)32-39)28-10-3-11-29-52/h1-2,4-9,12-27,30-33H,3,10-11,28-29H2
InChIKeyKVJBNEGMZKEFIY-UHFFFAOYSA-N
XLogP13.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181892
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
4,6-diphenyl-2-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 146352227
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 160926464
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 159562639

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine (CID 146352222) is 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)C7(CCCCC7)c7ccccc7-8)cc6c5c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine?
The InChIKey is KVJBNEGMZKEFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O/c1-4-12-34(13-5-1)35-18-20-36(21-19-35)47-33-48(54-51(53-47)37-14-6-2-7-15-37)40-24-27-50-44(31-40)43-30-38(23-26-49(43)55-50)39-22-25-42-41-16-8-9-17-45(41)52(46(42)32-39)28-10-3-11-29-52/h1-2,4-9,12-27,30-33H,3,10-11,28-29H2.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine?
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine has a molecular weight of 706.89 g/mol, XLogP of 13.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine is sourced from PubChem (CID 146352222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).