4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine

C55H44N2O — CID 166902119

IUPAC4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2C2C=C3C(=CC21)c1c(-c2ccc4oc5c(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cccc5c4c2)cccc1C31CCCCC1
InChIInChI=1S/C55H44N2O/c1-54(2)44-24-11-10-20-38(44)41-31-47-43(32-46(41)54)51-37(21-15-25-45(51)55(47)28-12-5-13-29-55)36-26-27-50-42(30-36)39-22-14-23-40(52(39)58-50)49-33-48(34-16-6-3-7-17-34)56-53(57-49)35-18-8-4-9-19-35/h3-4,6-11,14-27,30-33,41,46H,5,12-13,28-29H2,1-2H3
InChIKeyIIUVOYRDGHSXNJ-UHFFFAOYSA-N
MW748.97 g/mol
LogP14.27
Rot. Bonds4

About 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine

4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine (PubChem CID 166902119) has the molecular formula C55H44N2O and a molecular weight of 748.97 g/mol. Its IUPAC name is 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
PubChem CID166902119
Molecular FormulaC55H44N2O
Molecular Weight748.97 g/mol
Exact Mass748.35
IUPAC Name4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2C2C=C3C(=CC21)c1c(-c2ccc4oc5c(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cccc5c4c2)cccc1C31CCCCC1
InChIInChI=1S/C55H44N2O/c1-54(2)44-24-11-10-20-38(44)41-31-47-43(32-46(41)54)51-37(21-15-25-45(51)55(47)28-12-5-13-29-55)36-26-27-50-42(30-36)39-22-14-23-40(52(39)58-50)49-33-48(34-16-6-3-7-17-34)56-53(57-49)35-18-8-4-9-19-35/h3-4,6-11,14-27,30-33,41,46H,5,12-13,28-29H2,1-2H3
InChIKeyIIUVOYRDGHSXNJ-UHFFFAOYSA-N
XLogP14.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine with MolForge

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Related Compounds

5'-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440976
2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 166902608
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine
CID 159421196
4-[3-[3-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166902701
2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)cyclohexa-1,3-dien-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166902480
2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-3,5,6-triphenylpyrazine
CID 166901765
5'-[6-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440952
CID 166902331
CID 166902331
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine
CID 146352222
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine
CID 159948006
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747290
2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143524

Frequently Asked Questions

What is the IUPAC name of 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine (CID 166902119) is 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine is CC1(C)c2ccccc2C2C=C3C(=CC21)c1c(-c2ccc4oc5c(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cccc5c4c2)cccc1C31CCCCC1.
What is the InChIKey of 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine?
The InChIKey is IIUVOYRDGHSXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2O/c1-54(2)44-24-11-10-20-38(44)41-31-47-43(32-46(41)54)51-37(21-15-25-45(51)55(47)28-12-5-13-29-55)36-26-27-50-42(30-36)39-22-14-23-40(52(39)58-50)49-33-48(34-16-6-3-7-17-34)56-53(57-49)35-18-8-4-9-19-35/h3-4,6-11,14-27,30-33,41,46H,5,12-13,28-29H2,1-2H3.
What are the key properties of 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine?
4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine has a molecular weight of 748.97 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 166902119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).