1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene

C132H180 — CID 157259887

IUPAC1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/6C22H30/c6*1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10/h6*1-10H3
InChIKeyAXIHBQBKWVUORO-UHFFFAOYSA-N
MW1766.89 g/mol
LogP38.63
Rot. Bonds6

About 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene

1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene (PubChem CID 157259887) has the molecular formula C132H180 and a molecular weight of 1766.89 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
PubChem CID157259887
Molecular FormulaC132H180
Molecular Weight1766.89 g/mol
Exact Mass1765.41
IUPAC Name1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/6C22H30/c6*1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10/h6*1-10H3
InChIKeyAXIHBQBKWVUORO-UHFFFAOYSA-N
XLogP38.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001766.89
LogP ≤ 538.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene (CID 157259887) is 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene is Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene?
The InChIKey is AXIHBQBKWVUORO-UHFFFAOYSA-N. The full InChI is InChI=1S/6C22H30/c6*1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10/h6*1-10H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene?
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene has a molecular weight of 1766.89 g/mol, XLogP of 38.63, 6 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-(2,3,4,5,6-pentamethylphenyl)benzene is sourced from PubChem (CID 157259887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).