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

C46H34N2O — CID 159421196

IUPAC2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3c(-c5cccc6c5-c5ccccc5C65CCCCC5)cccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H34N2O/c1-4-15-30(16-5-1)40-29-41(48-45(47-40)31-17-6-2-7-18-31)37-24-13-23-35-34-22-12-21-33(43(34)49-44(35)37)32-20-14-26-39-42(32)36-19-8-9-25-38(36)46(39)27-10-3-11-28-46/h1-2,4-9,12-26,29H,3,10-11,27-28H2
InChIKeyFFXFQHNTPKOBJC-UHFFFAOYSA-N
MW630.79 g/mol
LogP12.27
Rot. Bonds4

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

2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine (PubChem CID 159421196) has the molecular formula C46H34N2O and a molecular weight of 630.79 g/mol. Its IUPAC name is 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine
PubChem CID159421196
Molecular FormulaC46H34N2O
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC Name2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3c(-c5cccc6c5-c5ccccc5C65CCCCC5)cccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H34N2O/c1-4-15-30(16-5-1)40-29-41(48-45(47-40)31-17-6-2-7-18-31)37-24-13-23-35-34-22-12-21-33(43(34)49-44(35)37)32-20-14-26-39-42(32)36-19-8-9-25-38(36)46(39)27-10-3-11-28-46/h1-2,4-9,12-26,29H,3,10-11,27-28H2
InChIKeyFFXFQHNTPKOBJC-UHFFFAOYSA-N
XLogP12.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine
CID 176794256
5'-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440976
2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 174300084
2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 159060876
5'-[6-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440952
2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine
CID 176793436
2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181895
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158284037
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-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160653174

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine (CID 159421196) is 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine is c1ccc(-c2cc(-c3cccc4c3oc3c(-c5cccc6c5-c5ccccc5C65CCCCC5)cccc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine?
The InChIKey is FFXFQHNTPKOBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O/c1-4-15-30(16-5-1)40-29-41(48-45(47-40)31-17-6-2-7-18-31)37-24-13-23-35-34-22-12-21-33(43(34)49-44(35)37)32-20-14-26-39-42(32)36-19-8-9-25-38(36)46(39)27-10-3-11-28-46/h1-2,4-9,12-26,29H,3,10-11,27-28H2.
What are the key properties of 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine?
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine has a molecular weight of 630.79 g/mol, XLogP of 12.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine is sourced from PubChem (CID 159421196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).