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

C145H100N10S5 — CID 157245340

IUPAC2-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
SMILESCc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccccc2-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C35H24N2S.3C29H20N2S.C23H16N2S/c1-23-19-32(37-35(36-23)31-17-10-16-30-29-15-8-9-18-33(29)38-34(30)31)28-21-26(24-11-4-2-5-12-24)20-27(22-28)25-13-6-3-7-14-25;1-19-17-26(22-12-7-11-21(18-22)20-9-3-2-4-10-20)31-29(30-19)25-15-8-14-24-23-13-5-6-16-27(23)32-28(24)25;1-19-18-26(22-13-6-5-12-21(22)20-10-3-2-4-11-20)31-29(30-19)25-16-9-15-24-23-14-7-8-17-27(23)32-28(24)25;1-19-18-26(22-16-14-21(15-17-22)20-8-3-2-4-9-20)31-29(30-19)25-12-7-11-24-23-10-5-6-13-27(23)32-28(24)25;1-15-14-20(16-8-3-2-4-9-16)25-23(24-15)19-12-7-11-18-17-10-5-6-13-21(17)26-22(18)19/h2-22H,1H3;3*2-18H,1H3;2-14H,1H3
InChIKeyAVRQXPROOQWGKJ-UHFFFAOYSA-N
MW2142.80 g/mol
LogP40.77
Rot. Bonds15

About 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

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 (PubChem CID 157245340) has the molecular formula C145H100N10S5 and a molecular weight of 2142.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157245340
Molecular FormulaC145H100N10S5
Molecular Weight2142.80 g/mol
Exact Mass2140.67
IUPAC Name2-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
SMILESCc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccccc2-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C35H24N2S.3C29H20N2S.C23H16N2S/c1-23-19-32(37-35(36-23)31-17-10-16-30-29-15-8-9-18-33(29)38-34(30)31)28-21-26(24-11-4-2-5-12-24)20-27(22-28)25-13-6-3-7-14-25;1-19-17-26(22-12-7-11-21(18-22)20-9-3-2-4-10-20)31-29(30-19)25-15-8-14-24-23-13-5-6-16-27(23)32-28(24)25;1-19-18-26(22-13-6-5-12-21(22)20-10-3-2-4-11-20)31-29(30-19)25-16-9-15-24-23-14-7-8-17-27(23)32-28(24)25;1-19-18-26(22-16-14-21(15-17-22)20-8-3-2-4-9-20)31-29(30-19)25-12-7-11-24-23-10-5-6-13-27(23)32-28(24)25;1-15-14-20(16-8-3-2-4-9-16)25-23(24-15)19-12-7-11-18-17-10-5-6-13-21(17)26-22(18)19/h2-22H,1H3;3*2-18H,1H3;2-14H,1H3
InChIKeyAVRQXPROOQWGKJ-UHFFFAOYSA-N
XLogP40.77
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002142.80
LogP ≤ 540.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

4-dibenzothiophen-4-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 148792631
4-(3-dibenzothiophen-4-ylphenyl)-2-(4-methylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 146557844
4,6-di(dibenzothiophen-4-yl)-2-[4-phenyl-2-(3-phenylphenyl)phenyl]pyrimidine
CID 167349703
4-dibenzothiophen-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-(2-phenylphenyl)pyrimidine
CID 165160254
4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 153287998
2-dibenzothiophen-4-yl-4-iodo-6-(2-phenylphenyl)pyrimidine
CID 146943637
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
4-[3-dibenzothiophen-3-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584456
4-[3-dibenzothiophen-4-yl-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171585763
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 153301922
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171582942
4,6-di(dibenzothiophen-4-yl)-2-[2-phenyl-6-(3-phenylphenyl)phenyl]pyrimidine
CID 167349739

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccccc2-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1.
What is the InChIKey of 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?
The InChIKey is AVRQXPROOQWGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2S.3C29H20N2S.C23H16N2S/c1-23-19-32(37-35(36-23)31-17-10-16-30-29-15-8-9-18-33(29)38-34(30)31)28-21-26(24-11-4-2-5-12-24)20-27(22-28)25-13-6-3-7-14-25;1-19-17-26(22-12-7-11-21(18-22)20-9-3-2-4-10-20)31-29(30-19)25-15-8-14-24-23-13-5-6-16-27(23)32-28(24)25;1-19-18-26(22-13-6-5-12-21(22)20-10-3-2-4-11-20)31-29(30-19)25-16-9-15-24-23-14-7-8-17-27(23)32-28(24)25;1-19-18-26(22-16-14-21(15-17-22)20-8-3-2-4-9-20)31-29(30-19)25-12-7-11-24-23-10-5-6-13-27(23)32-28(24)25;1-15-14-20(16-8-3-2-4-9-16)25-23(24-15)19-12-7-11-18-17-10-5-6-13-21(17)26-22(18)19/h2-22H,1H3;3*2-18H,1H3;2-14H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2142.80 g/mol, XLogP of 40.77, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157245340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).