4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine

C48H32N2O — CID 171602621

IUPAC4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C48H32N2O/c1-48(33-17-6-3-7-18-33)40-24-12-10-22-39(40)46-38(23-14-25-41(46)48)34-19-8-9-20-35(34)43-30-42(49-47(50-43)31-15-4-2-5-16-31)32-27-28-37-36-21-11-13-26-44(36)51-45(37)29-32/h2-30H,1H3
InChIKeyTYFLJRNRTVCEEJ-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.38
Rot. Bonds5

About 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine

4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171602621) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
PubChem CID171602621
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C48H32N2O/c1-48(33-17-6-3-7-18-33)40-24-12-10-22-39(40)46-38(23-14-25-41(46)48)34-19-8-9-20-35(34)43-30-42(49-47(50-43)31-15-4-2-5-16-31)32-27-28-37-36-21-11-13-26-44(36)51-45(37)29-32/h2-30H,1H3
InChIKeyTYFLJRNRTVCEEJ-UHFFFAOYSA-N
XLogP12.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602778
4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603712
4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602125
4-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789
4-(4-dibenzofuran-3-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603427
4-dibenzofuran-3-yl-6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794212
4-(9-methyl-9-phenylfluoren-4-yl)-6-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)phenyl]-2-phenylpyrimidine
CID 171602685
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171584672
4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603523
4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine
CID 171602426
4-(3-dibenzofuran-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603030
4-(2-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603424

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine (CID 171602621) is 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is TYFLJRNRTVCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-48(33-17-6-3-7-18-33)40-24-12-10-22-39(40)46-38(23-14-25-41(46)48)34-19-8-9-20-35(34)43-30-42(49-47(50-43)31-15-4-2-5-16-31)32-27-28-37-36-21-11-13-26-44(36)51-45(37)29-32/h2-30H,1H3.
What are the key properties of 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 652.80 g/mol, XLogP of 12.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171602621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).