4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine

C48H32N2O — CID 171602778

IUPAC4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4ccccc4-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C48H32N2O/c1-48(32-18-6-3-7-19-32)40-27-12-10-23-38(40)45-39(26-15-28-41(45)48)43-30-42(49-47(50-43)31-16-4-2-5-17-31)34-21-9-8-20-33(34)36-24-14-25-37-35-22-11-13-29-44(35)51-46(36)37/h2-30H,1H3
InChIKeyLSOVRQPVYXWIQN-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.38
Rot. Bonds5

About 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine

4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine (PubChem CID 171602778) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
PubChem CID171602778
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4ccccc4-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C48H32N2O/c1-48(32-18-6-3-7-19-32)40-27-12-10-23-38(40)45-39(26-15-28-41(45)48)43-30-42(49-47(50-43)31-16-4-2-5-17-31)34-21-9-8-20-33(34)36-24-14-25-37-35-22-11-13-29-44(35)51-46(36)37/h2-30H,1H3
InChIKeyLSOVRQPVYXWIQN-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-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171584672
4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602125
4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602621
4-(2-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603424
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-(9-methyl-9-phenylfluoren-4-yl)-6-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenylpyrimidine
CID 171603332
4-(2-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603080
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine
CID 171601974
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603660
4-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176793640
4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602923

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine (CID 171602778) is 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4ccccc4-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The InChIKey is LSOVRQPVYXWIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-48(32-18-6-3-7-19-32)40-27-12-10-23-38(40)45-39(26-15-28-41(45)48)43-30-42(49-47(50-43)31-16-4-2-5-17-31)34-21-9-8-20-33(34)36-24-14-25-37-35-22-11-13-29-44(35)51-46(36)37/h2-30H,1H3.
What are the key properties of 4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-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-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine is sourced from PubChem (CID 171602778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).