2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine

C43H28N2S2 — CID 167349473

IUPAC2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4cccc5c4sc4ccccc45)nc(-c4ccc5sc6ccccc6c5c4)n3)cccc21
InChIInChI=1S/C43H28N2S2/c1-43(2)33-17-6-3-13-29(33)40-30(15-10-18-34(40)43)35-24-36(31-16-9-14-28-26-11-4-8-20-38(26)47-41(28)31)45-42(44-35)25-21-22-39-32(23-25)27-12-5-7-19-37(27)46-39/h3-24H,1-2H3
InChIKeyRUQXKXKXRDAODO-UHFFFAOYSA-N
MW636.85 g/mol
LogP12.52
Rot. Bonds3

About 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine

2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine (PubChem CID 167349473) has the molecular formula C43H28N2S2 and a molecular weight of 636.85 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine
PubChem CID167349473
Molecular FormulaC43H28N2S2
Molecular Weight636.85 g/mol
Exact Mass636.17
IUPAC Name2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4cccc5c4sc4ccccc45)nc(-c4ccc5sc6ccccc6c5c4)n3)cccc21
InChIInChI=1S/C43H28N2S2/c1-43(2)33-17-6-3-13-29(33)40-30(15-10-18-34(40)43)35-24-36(31-16-9-14-28-26-11-4-8-20-38(26)47-41(28)31)45-42(44-35)25-21-22-39-32(23-25)27-12-5-7-19-37(27)46-39/h3-24H,1-2H3
InChIKeyRUQXKXKXRDAODO-UHFFFAOYSA-N
XLogP12.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.85
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)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-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779750
4-(9,9-dimethylfluoren-4-yl)-2-phenyl-6-[3-phenyl-5-(4-phenyldibenzothiophen-2-yl)phenyl]pyrimidine
CID 171582824
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 171585376
4-dibenzothiophen-4-yl-2-(9,9-dimethylfluoren-2-yl)-6-(2-naphthalen-1-ylphenyl)pyrimidine
CID 167349053
2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828267
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828286
4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine
CID 171727133
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-dibenzothiophen-2-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine
CID 171583925
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828284
4-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171585418
4-dibenzothiophen-4-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776821
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171585654

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine (CID 167349473) is 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine is CC1(C)c2ccccc2-c2c(-c3cc(-c4cccc5c4sc4ccccc45)nc(-c4ccc5sc6ccccc6c5c4)n3)cccc21.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine?
The InChIKey is RUQXKXKXRDAODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2S2/c1-43(2)33-17-6-3-13-29(33)40-30(15-10-18-34(40)43)35-24-36(31-16-9-14-28-26-11-4-8-20-38(26)47-41(28)31)45-42(44-35)25-21-22-39-32(23-25)27-12-5-7-19-37(27)46-39/h3-24H,1-2H3.
What are the key properties of 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine?
2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine has a molecular weight of 636.85 g/mol, XLogP of 12.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine is sourced from PubChem (CID 167349473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).