4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C137H102N10O3S — CID 157375166

IUPAC4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.Cc1nc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)cc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)n1.O=S(=O)(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cc1
InChIInChI=1S/C40H28N2.C37H26N6.C36H26O2S.C24H22N2O/c1-2-9-29(10-3-1)30-11-4-14-33(21-30)38-24-39(34-15-5-12-31(22-34)36-17-7-19-41-27-36)26-40(25-38)35-16-6-13-32(23-35)37-18-8-20-42-28-37;1-25-42-36(34-16-30(26-6-2-10-38-21-26)14-31(17-34)27-7-3-11-39-22-27)20-37(43-25)35-18-32(28-8-4-12-40-23-28)15-33(19-35)29-9-5-13-41-24-29;37-39(38,35-23-31(27-13-5-1-6-14-27)21-32(24-35)28-15-7-2-8-16-28)36-25-33(29-17-9-3-10-18-29)22-34(26-36)30-19-11-4-12-20-30;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-28H;2-24H,1H3;1-26H;4-16H,1-3H3
InChIKeyBKFXZYJOEGBQSA-UHFFFAOYSA-N
MW1968.46 g/mol
LogP34.40
Rot. Bonds21

About 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 157375166) has the molecular formula C137H102N10O3S and a molecular weight of 1968.46 g/mol. Its IUPAC name is 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID157375166
Molecular FormulaC137H102N10O3S
Molecular Weight1968.46 g/mol
Exact Mass1966.79
IUPAC Name4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.Cc1nc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)cc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)n1.O=S(=O)(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cc1
InChIInChI=1S/C40H28N2.C37H26N6.C36H26O2S.C24H22N2O/c1-2-9-29(10-3-1)30-11-4-14-33(21-30)38-24-39(34-15-5-12-31(22-34)36-17-7-19-41-27-36)26-40(25-38)35-16-6-13-32(23-35)37-18-8-20-42-28-37;1-25-42-36(34-16-30(26-6-2-10-38-21-26)14-31(17-34)27-7-3-11-39-22-27)20-37(43-25)35-18-32(28-8-4-12-40-23-28)15-33(19-35)29-9-5-13-41-24-29;37-39(38,35-23-31(27-13-5-1-6-14-27)21-32(24-35)28-15-7-2-8-16-28)36-25-33(29-17-9-3-10-18-29)22-34(26-36)30-19-11-4-12-20-30;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-28H;2-24H,1H3;1-26H;4-16H,1-3H3
InChIKeyBKFXZYJOEGBQSA-UHFFFAOYSA-N
XLogP34.40
TPSA176.18 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.46
LogP ≤ 534.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine with MolForge

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Related Compounds

5-Ethenyl-2-propan-2-ylpyrimidine;2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);tris(5-methyl-2-propan-2-ylpyrimidine);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
CID 157093317
4,6-Bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 157439961
2-Benzyl-5-propan-2-yl-1,3,4-oxadiazole;5-ethenyl-2-propan-2-ylpyrimidine;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);bis(5-methyl-2-propan-2-ylpyrimidine);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine
CID 158583432
2-(2-Fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
CID 158827398
2,8-Bis(diphenylphosphoryl)dibenzothiophene;3,7-bis(4-fluorophenyl)-11-(4-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene;2,5-diphenyl-1,3,4-oxadiazole;diphenyl-(4-pyridin-4-ylphenyl)borane;4-(3,5-dipyridin-4-ylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine;ethane;4-methylpyridine;toluene
CID 159719626
2-Methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
CID 159955008
2-(2,5-Difluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;bis(2-(2,5-difluoro-4-propan-2-ylphenyl)pyrimidine);2-(2-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)-5-propyl-1,3,4-oxadiazole;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;2-(4-propan-2-ylphenyl)pyrimidine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-yl-5-pyrimidin-2-yl-1,3-thiazole
CID 160112212
5-Bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene
CID 161464515
5-(3,5-Dimethylphenyl)-2-methylpyrimidine;2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyridine;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole
CID 163427590

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 157375166) is 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.Cc1nc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)cc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)n1.O=S(=O)(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cc1.
What is the InChIKey of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is BKFXZYJOEGBQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2.C37H26N6.C36H26O2S.C24H22N2O/c1-2-9-29(10-3-1)30-11-4-14-33(21-30)38-24-39(34-15-5-12-31(22-34)36-17-7-19-41-27-36)26-40(25-38)35-16-6-13-32(23-35)37-18-8-20-42-28-37;1-25-42-36(34-16-30(26-6-2-10-38-21-26)14-31(17-34)27-7-3-11-39-22-27)20-37(43-25)35-18-32(28-8-4-12-40-23-28)15-33(19-35)29-9-5-13-41-24-29;37-39(38,35-23-31(27-13-5-1-6-14-27)21-32(24-35)28-15-7-2-8-16-28)36-25-33(29-17-9-3-10-18-29)22-34(26-36)30-19-11-4-12-20-30;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h1-28H;2-24H,1H3;1-26H;4-16H,1-3H3.
What are the key properties of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 1968.46 g/mol, XLogP of 34.40, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1-(3,5-diphenylphenyl)sulfonyl-3,5-diphenylbenzene;3-[3-[3-(3-phenylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 157375166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).