4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine

C48H32N2O — CID 171601974

IUPAC4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(c2cccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccccc4)n3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C48H32N2O/c1-48(41-22-8-5-17-37(41)38-18-6-9-23-42(38)48)35-16-11-15-34(29-35)44-30-43(49-47(50-44)33-13-3-2-4-14-33)32-27-25-31(26-28-32)36-20-12-21-40-39-19-7-10-24-45(39)51-46(36)40/h2-30H,1H3
InChIKeyUOTUTIDSEPWBST-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.38
Rot. Bonds5

About 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine

4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171601974) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine
PubChem CID171601974
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(c2cccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccccc4)n3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C48H32N2O/c1-48(41-22-8-5-17-37(41)38-18-6-9-23-42(38)48)35-16-11-15-34(29-35)44-30-43(49-47(50-44)33-13-3-2-4-14-33)32-27-25-31(26-28-32)36-20-12-21-40-39-19-7-10-24-45(39)51-46(36)40/h2-30H,1H3
InChIKeyUOTUTIDSEPWBST-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

Analyze 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171601900
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171603888
4-(4-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602158
4-(2-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603424
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171584672
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171601858
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171602480
4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603712
4-(4-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602804
4-(3-dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602022

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine (CID 171601974) is 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine is CC1(c2cccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccccc4)n3)c2)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is UOTUTIDSEPWBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-48(41-22-8-5-17-37(41)38-18-6-9-23-42(38)48)35-16-11-15-34(29-35)44-30-43(49-47(50-44)33-13-3-2-4-14-33)32-27-25-31(26-28-32)36-20-12-21-40-39-19-7-10-24-45(39)51-46(36)40/h2-30H,1H3.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine?
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-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-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171601974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).