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

C29H20N2S — CID 153287998

IUPAC4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
SMILESCc1cc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C29H20N2S/c1-19-17-26(21-15-16-28-25(18-21)23-12-7-8-14-27(23)32-28)31-29(30-19)24-13-6-5-11-22(24)20-9-3-2-4-10-20/h2-18H,1H3
InChIKeyAYYZYFFMLBLAND-UHFFFAOYSA-N
MW428.56 g/mol
LogP8.15
Rot. Bonds3

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

4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine (PubChem CID 153287998) has the molecular formula C29H20N2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
PubChem CID153287998
Molecular FormulaC29H20N2S
Molecular Weight428.56 g/mol
Exact Mass428.13
IUPAC Name4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
SMILESCc1cc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C29H20N2S/c1-19-17-26(21-15-16-28-25(18-21)23-12-7-8-14-27(23)32-28)31-29(30-19)24-13-6-5-11-22(24)20-9-3-2-4-10-20/h2-18H,1H3
InChIKeyAYYZYFFMLBLAND-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

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Related Compounds

4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine
CID 147486733
4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 148792631
4-dibenzothiophen-2-yl-6-[3-dibenzothiophen-2-yl-5-(2-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171582700
2-(4-dibenzothiophen-1-ylphenyl)-4-methyl-6-phenylpyrimidine
CID 148637654
2-dibenzothiophen-4-yl-4-(3,5-diphenylphenyl)-6-methylpyrimidine;2-dibenzothiophen-4-yl-4-methyl-6-(2-phenylphenyl)pyrimidine;2-dibenzothiophen-4-yl-4-methyl-6-(3-phenylphenyl)pyrimidine;2-dibenzothiophen-4-yl-4-methyl-6-(4-phenylphenyl)pyrimidine;2-dibenzothiophen-4-yl-4-methyl-6-phenylpyrimidine
CID 157245340
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171582809
4-(4-dibenzothiophen-3-ylphenyl)-6-methyl-2-phenylpyrimidine
CID 148962939
4-dibenzothiophen-2-yl-6-[2-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603452
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585066
2-[3-[5-[6-(3-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 175619736
2-dibenzothiophen-2-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278929
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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine (CID 153287998) is 4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine is Cc1cc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccccc2-c2ccccc2)n1.
What is the InChIKey of 4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine?
The InChIKey is AYYZYFFMLBLAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2S/c1-19-17-26(21-15-16-28-25(18-21)23-12-7-8-14-27(23)32-28)31-29(30-19)24-13-6-5-11-22(24)20-9-3-2-4-10-20/h2-18H,1H3.
What are the key properties of 4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine?
4-dibenzothiophen-2-yl-6-methyl-2-(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-6-methyl-2-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 153287998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).