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

C46H68 — CID 163470623

IUPACmethane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
SMILESC.C.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/2C22H30.2CH4/c2*1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10;;/h2*1-10H3;2*1H4
InChIKeyBWGGCZVKGNIYCX-UHFFFAOYSA-N
MW621.05 g/mol
LogP14.15
Rot. Bonds2

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

methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene) (PubChem CID 163470623) has the molecular formula C46H68 and a molecular weight of 621.05 g/mol. Its IUPAC name is methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene).

Molecular Properties

Compound Namemethane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
PubChem CID163470623
Molecular FormulaC46H68
Molecular Weight621.05 g/mol
Exact Mass620.53
IUPAC Namemethane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
SMILESC.C.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/2C22H30.2CH4/c2*1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10;;/h2*1-10H3;2*1H4
InChIKeyBWGGCZVKGNIYCX-UHFFFAOYSA-N
XLogP14.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.05
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
CID 54008423
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
1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene
CID 59816825
ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
CID 162165852
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
CID 134902011
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran
CID 59348416

Frequently Asked Questions

What is the IUPAC name of methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)?
The IUPAC name of methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene) (CID 163470623) is methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene).
What is the SMILES notation for methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)?
The canonical SMILES for methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene) is C.C.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 methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)?
The InChIKey is BWGGCZVKGNIYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H30.2CH4/c2*1-11-13(3)17(7)21(18(8)14(11)4)22-19(9)15(5)12(2)16(6)20(22)10;;/h2*1-10H3;2*1H4.
What are the key properties of methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)?
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene) has a molecular weight of 621.05 g/mol, XLogP of 14.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene) is sourced from PubChem (CID 163470623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).