3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine

C74H78N2O4S2 — CID 158101277

IUPAC3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
SMILESCC1CC(C)C(c2ccccc2)S(=O)(=O)C1c1ccccc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccccc1Cc1ccccc1C
InChIInChI=1S/C19H22O2S.C15H16.C14H14O2S.C14H14.C12H12N2/c1-14-13-15(2)19(17-11-7-4-8-12-17)22(20,21)18(14)16-9-5-3-6-10-16;1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-12,14-15,18-19H,13H2,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3
InChIKeyFPHBMEXOVDMAJQ-UHFFFAOYSA-N
MW1123.58 g/mol
LogP18.32
Rot. Bonds8

About 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine

3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine (PubChem CID 158101277) has the molecular formula C74H78N2O4S2 and a molecular weight of 1123.58 g/mol. Its IUPAC name is 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
PubChem CID158101277
Molecular FormulaC74H78N2O4S2
Molecular Weight1123.58 g/mol
Exact Mass1122.54
IUPAC Name3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
SMILESCC1CC(C)C(c2ccccc2)S(=O)(=O)C1c1ccccc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccccc1Cc1ccccc1C
InChIInChI=1S/C19H22O2S.C15H16.C14H14O2S.C14H14.C12H12N2/c1-14-13-15(2)19(17-11-7-4-8-12-17)22(20,21)18(14)16-9-5-3-6-10-16;1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-12,14-15,18-19H,13H2,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3
InChIKeyFPHBMEXOVDMAJQ-UHFFFAOYSA-N
XLogP18.32
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.58
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine?
The IUPAC name of 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine (CID 158101277) is 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine?
The canonical SMILES for 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine is CC1CC(C)C(c2ccccc2)S(=O)(=O)C1c1ccccc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccccc1Cc1ccccc1C.
What is the InChIKey of 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine?
The InChIKey is FPHBMEXOVDMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2S.C15H16.C14H14O2S.C14H14.C12H12N2/c1-14-13-15(2)19(17-11-7-4-8-12-17)22(20,21)18(14)16-9-5-3-6-10-16;1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-12,14-15,18-19H,13H2,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3.
What are the key properties of 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine?
3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine has a molecular weight of 1123.58 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 158101277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).