2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine

C49H34N2O — CID 142491326

IUPAC2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc5oc6ccccc6c45)cc3)cc21
InChIInChI=1S/C49H34N2O/c1-49(2)40-19-11-9-17-36(40)37-26-25-35(29-41(37)49)31-21-23-34(24-22-31)46-39(27-28-45-47(46)38-18-10-12-20-44(38)52-45)48-50-42(32-13-5-3-6-14-32)30-43(51-48)33-15-7-4-8-16-33/h3-30H,1-2H3
InChIKeyNSFPEZSLIJJEKP-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.02
Rot. Bonds5

About 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine

2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine (PubChem CID 142491326) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine
PubChem CID142491326
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc5oc6ccccc6c45)cc3)cc21
InChIInChI=1S/C49H34N2O/c1-49(2)40-19-11-9-17-36(40)37-26-25-35(29-41(37)49)31-21-23-34(24-22-31)46-39(27-28-45-47(46)38-18-10-12-20-44(38)52-45)48-50-42(32-13-5-3-6-14-32)30-43(51-48)33-15-7-4-8-16-33/h3-30H,1-2H3
InChIKeyNSFPEZSLIJJEKP-UHFFFAOYSA-N
XLogP13.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-dibenzofuran-3-yl-4,6-diphenylpyrimidine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158848714
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine
CID 154602693
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-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170301829
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907327
4,6-diphenyl-2-[1-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-2-yl]pyrimidine
CID 142491195
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine (CID 142491326) is 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc5oc6ccccc6c45)cc3)cc21.
What is the InChIKey of 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine?
The InChIKey is NSFPEZSLIJJEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-49(2)40-19-11-9-17-36(40)37-26-25-35(29-41(37)49)31-21-23-34(24-22-31)46-39(27-28-45-47(46)38-18-10-12-20-44(38)52-45)48-50-42(32-13-5-3-6-14-32)30-43(51-48)33-15-7-4-8-16-33/h3-30H,1-2H3.
What are the key properties of 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine?
2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine has a molecular weight of 666.82 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 142491326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).