[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane

C46H38N2OSi — CID 177088039

IUPAC[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)n4)c3)ccc2-c2ccc([Si](C)(C)C)cc21
InChIInChI=1S/C46H38N2OSi/c1-46(2)38-26-31(21-23-34(38)35-24-22-33(27-39(35)46)50(3,4)5)30-15-11-16-32(25-30)45-47-40(29-13-7-6-8-14-29)28-41(48-45)36-18-12-20-43-44(36)37-17-9-10-19-42(37)49-43/h6-28H,1-5H3
InChIKeyMEMSWVVCQLUUAV-UHFFFAOYSA-N
MW662.91 g/mol
LogP11.90
Rot. Bonds5

About [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane

[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane (PubChem CID 177088039) has the molecular formula C46H38N2OSi and a molecular weight of 662.91 g/mol. Its IUPAC name is [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane
PubChem CID177088039
Molecular FormulaC46H38N2OSi
Molecular Weight662.91 g/mol
Exact Mass662.28
IUPAC Name[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)n4)c3)ccc2-c2ccc([Si](C)(C)C)cc21
InChIInChI=1S/C46H38N2OSi/c1-46(2)38-26-31(21-23-34(38)35-24-22-33(27-39(35)46)50(3,4)5)30-15-11-16-32(25-30)45-47-40(29-13-7-6-8-14-29)28-41(48-45)36-18-12-20-43-44(36)37-17-9-10-19-42(37)49-43/h6-28H,1-5H3
InChIKeyMEMSWVVCQLUUAV-UHFFFAOYSA-N
XLogP11.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.91
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
CID 176917153
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine
CID 154602693
[9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane
CID 177088012
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-dibenzofuran-1-yl-6-phenyl-2-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 147940366
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
[7-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane
CID 177088294
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171583008
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430

Frequently Asked Questions

What is the IUPAC name of [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane?
The IUPAC name of [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane (CID 177088039) is [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane.
What is the SMILES notation for [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane?
The canonical SMILES for [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)n4)c3)ccc2-c2ccc([Si](C)(C)C)cc21.
What is the InChIKey of [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane?
The InChIKey is MEMSWVVCQLUUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2OSi/c1-46(2)38-26-31(21-23-34(38)35-24-22-33(27-39(35)46)50(3,4)5)30-15-11-16-32(25-30)45-47-40(29-13-7-6-8-14-29)28-41(48-45)36-18-12-20-43-44(36)37-17-9-10-19-42(37)49-43/h6-28H,1-5H3.
What are the key properties of [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane?
[7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane has a molecular weight of 662.91 g/mol, XLogP of 11.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[3-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane is sourced from PubChem (CID 177088039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).