6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine

C22H16N2S — CID 118584628

IUPAC6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine
SMILESC1=NC(c2ccccc2)C=C(c2cccc3c2sc2ccccc23)N1
InChIInChI=1S/C22H16N2S/c1-2-7-15(8-3-1)19-13-20(24-14-23-19)18-11-6-10-17-16-9-4-5-12-21(16)25-22(17)18/h1-14,19H,(H,23,24)
InChIKeyGBWMFEZDSPHJJZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.77
Rot. Bonds2

About 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine

6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine (PubChem CID 118584628) has the molecular formula C22H16N2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine
PubChem CID118584628
Molecular FormulaC22H16N2S
Molecular Weight340.45 g/mol
Exact Mass340.10
IUPAC Name6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine
SMILESC1=NC(c2ccccc2)C=C(c2cccc3c2sc2ccccc23)N1
InChIInChI=1S/C22H16N2S/c1-2-7-15(8-3-1)19-13-20(24-14-23-19)18-11-6-10-17-16-9-4-5-12-21(16)25-22(17)18/h1-14,19H,(H,23,24)
InChIKeyGBWMFEZDSPHJJZ-UHFFFAOYSA-N
XLogP5.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzothiophen-4-ylaniline
CID 58050240
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332107
5-dibenzothiophen-4-yl-3-phenyl-1H-1,2,4-triazole
CID 118508901
8-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 129293631
6-[3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-2,4-diphenyl-1,2,3,4-tetrahydropyrimidine
CID 126517851
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
6-dibenzothiophen-4-yl-3-phenyl-9-(4-phenyl-1,4-dihydropyrimidin-2-yl)-1,2-dihydrocarbazole
CID 90132153
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
2-dibenzothiophen-4-yl-4,6-dimethyl-1,3,5-triazine
CID 134472341

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine (CID 118584628) is 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine is C1=NC(c2ccccc2)C=C(c2cccc3c2sc2ccccc23)N1.
What is the InChIKey of 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine?
The InChIKey is GBWMFEZDSPHJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2S/c1-2-7-15(8-3-1)19-13-20(24-14-23-19)18-11-6-10-17-16-9-4-5-12-21(16)25-22(17)18/h1-14,19H,(H,23,24).
What are the key properties of 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine?
6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine has a molecular weight of 340.45 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 118584628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).