4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine

C42H28N2O — CID 171602426

IUPAC4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C42H28N2O/c1-42(29-15-6-3-7-16-29)35-21-10-8-17-30(35)32-19-12-20-33(40(32)42)37-26-36(43-41(44-37)27-13-4-2-5-14-27)28-23-24-39-34(25-28)31-18-9-11-22-38(31)45-39/h2-26H,1H3
InChIKeySAIXQOZLMUNWHG-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.71
Rot. Bonds4

About 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine

4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine (PubChem CID 171602426) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine
PubChem CID171602426
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C42H28N2O/c1-42(29-15-6-3-7-16-29)35-21-10-8-17-30(35)32-19-12-20-33(40(32)42)37-26-36(43-41(44-37)27-13-4-2-5-14-27)28-23-24-39-34(25-28)31-18-9-11-22-38(31)45-39/h2-26H,1H3
InChIKeySAIXQOZLMUNWHG-UHFFFAOYSA-N
XLogP10.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-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-dibenzofuran-2-yl-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602430
4-[2-(2-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603789
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603989
4-(4-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602804
4-(2-dibenzofuran-2-ylphenyl)-6-[3-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602615
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950
4-(2-dibenzofuran-2-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602560
4-(2-dibenzofuran-2-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602681
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584697
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171603888
4-(4-dibenzofuran-2-ylphenyl)-6-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603107
4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603674

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine (CID 171602426) is 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccccc4)n3)c21.
What is the InChIKey of 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine?
The InChIKey is SAIXQOZLMUNWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-42(29-15-6-3-7-16-29)35-21-10-8-17-30(35)32-19-12-20-33(40(32)42)37-26-36(43-41(44-37)27-13-4-2-5-14-27)28-23-24-39-34(25-28)31-18-9-11-22-38(31)45-39/h2-26H,1H3.
What are the key properties of 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine?
4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine has a molecular weight of 576.70 g/mol, XLogP of 10.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine is sourced from PubChem (CID 171602426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).