1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene

C46H58 — CID 59927845

About 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene

1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene (PubChem CID 59927845) has the molecular formula C46H58 and a molecular weight of 610.97 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene.

Molecular Properties

• Compound Name: 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
• PubChem CID: 59927845
• Molecular Formula: C46H58
• Molecular Weight: 610.97 g/mol
• Exact Mass: 610.45
• IUPAC Name: 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
• SMILES: Cc1c(C)c(C)c(C=Cc2c(C)c(C)c(-c3c(C)c(C)c(C=Cc4c(C)c(C)c(C)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C
• InChI: InChI=1S/C46H58/c1-23-25(3)29(7)41(30(8)26(23)4)19-21-43-33(11)37(15)45(38(16)34(43)12)46-39(17)35(13)44(36(14)40(46)18)22-20-42-31(9)27(5)24(2)28(6)32(42)10/h19-22H,1-18H3
• InChIKey: ADZMSCCTYCSEMA-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.97
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?

The IUPAC name of 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene (CID 59927845) is 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene.

What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?

The canonical SMILES for 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene is Cc1c(C)c(C)c(C=Cc2c(C)c(C)c(-c3c(C)c(C)c(C=Cc4c(C)c(C)c(C)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C.

What is the InChIKey of 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?

The InChIKey is ADZMSCCTYCSEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H58/c1-23-25(3)29(7)41(30(8)26(23)4)19-21-43-33(11)37(15)45(38(16)34(43)12)46-39(17)35(13)44(36(14)40(46)18)22-20-42-31(9)27(5)24(2)28(6)32(42)10/h19-22H,1-18H3.

What are the key properties of 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene?

1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene has a molecular weight of 610.97 g/mol, XLogP of 13.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 59927845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).