methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone

C141H172O10S3 — CID 162180580

About methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone

methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone (PubChem CID 162180580) has the molecular formula C141H172O10S3 and a molecular weight of 2123.12 g/mol. Its IUPAC name is methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone.

Molecular Properties

• Compound Name: methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone
• PubChem CID: 162180580
• Molecular Formula: C141H172O10S3
• Molecular Weight: 2123.12 g/mol
• Exact Mass: 2121.21
• IUPAC Name: methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone
• SMILES: C.CC(C)Cc1ccc(CC(=O)c2ccccc2)cc1.Cc1ccc(C(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(C(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(C(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(S(=O)(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)Cc2ccc(CC(C)C)cc2)cc1
• InChI: InChI=1S/3C19H22O.3C18H22O2S.C18H20O.C11H16.CH4/c3*1-14(2)12-16-6-8-17(9-7-16)13-19(20)18-10-4-15(3)5-11-18;3*1-14(2)12-16-6-8-17(9-7-16)13-21(19,20)18-10-4-15(3)5-11-18;1-14(2)12-15-8-10-16(11-9-15)13-18(19)17-6-4-3-5-7-17;1-9(2)8-11-6-4-10(3)5-7-11;/h3*4-11,14H,12-13H2,1-3H3;3*4-11,14H,12-13H2,1-3H3;3-11,14H,12-13H2,1-2H3;4-7,9H,8H2,1-3H3;1H4
• InChIKey: ZOYQCTRUEAQLMQ-UHFFFAOYSA-N
• XLogP: 34.50
• TPSA: 170.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2123.12
LogP ≤ 5	34.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone?

The IUPAC name of methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone (CID 162180580) is methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone.

What is the SMILES notation for methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone?

The canonical SMILES for methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone is C.CC(C)Cc1ccc(CC(=O)c2ccccc2)cc1.Cc1ccc(C(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(C(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(C(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(S(=O)(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)Cc2ccc(CC(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)Cc2ccc(CC(C)C)cc2)cc1.

What is the InChIKey of methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone?

The InChIKey is ZOYQCTRUEAQLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H22O.3C18H22O2S.C18H20O.C11H16.CH4/c3*1-14(2)12-16-6-8-17(9-7-16)13-19(20)18-10-4-15(3)5-11-18;3*1-14(2)12-16-6-8-17(9-7-16)13-21(19,20)18-10-4-15(3)5-11-18;1-14(2)12-15-8-10-16(11-9-15)13-18(19)17-6-4-3-5-7-17;1-9(2)8-11-6-4-10(3)5-7-11;/h3*4-11,14H,12-13H2,1-3H3;3*4-11,14H,12-13H2,1-3H3;3-11,14H,12-13H2,1-2H3;4-7,9H,8H2,1-3H3;1H4.

What are the key properties of methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone?

methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone has a molecular weight of 2123.12 g/mol, XLogP of 34.50, 37 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone is sourced from PubChem (CID 162180580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).