4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine

C29H20N2S — CID 147486733

IUPAC4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine
SMILESCc1nc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C29H20N2S/c1-19-30-26(21-15-16-29-25(17-21)24-13-7-8-14-28(24)32-29)18-27(31-19)23-12-6-5-11-22(23)20-9-3-2-4-10-20/h2-18H,1H3
InChIKeyFESOIUILQRTSEC-UHFFFAOYSA-N
MW428.56 g/mol
LogP8.15
Rot. Bonds3

About 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine

4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 147486733) has the molecular formula C29H20N2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine
PubChem CID147486733
Molecular FormulaC29H20N2S
Molecular Weight428.56 g/mol
Exact Mass428.13
IUPAC Name4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine
SMILESCc1nc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C29H20N2S/c1-19-30-26(21-15-16-29-25(17-21)24-13-7-8-14-28(24)32-29)18-27(31-19)23-12-6-5-11-22(23)20-9-3-2-4-10-20/h2-18H,1H3
InChIKeyFESOIUILQRTSEC-UHFFFAOYSA-N
XLogP8.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine 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-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 153287998
4-dibenzothiophen-2-yl-6-[3-dibenzothiophen-2-yl-5-(2-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171582700
4-dibenzothiophen-2-yl-6-[2-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603452
4-dibenzothiophen-3-yl-2-iodo-6-(2-phenylphenyl)pyrimidine
CID 166850989
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 130263302
4-(2-dibenzothiophen-2-ylphenyl)-6-[11-[6-(2-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine
CID 165150692
2-[3-[5-[6-(3-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 175619736
4-[3-dibenzothiophen-2-yl-5-(2-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585198
4-(3-dibenzothiophen-2-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine
CID 171603184
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
4-dibenzothiophen-2-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602877

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine (CID 147486733) is 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine is Cc1nc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccccc2-c2ccccc2)n1.
What is the InChIKey of 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is FESOIUILQRTSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2S/c1-19-30-26(21-15-16-29-25(17-21)24-13-7-8-14-28(24)32-29)18-27(31-19)23-12-6-5-11-22(23)20-9-3-2-4-10-20/h2-18H,1H3.
What are the key properties of 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine?
4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 428.56 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 147486733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).