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

C42H54 — CID 145429848

IUPAC1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c(-c3c(C)c(C)c(-c4c(C)c(C)c(C)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C42H54/c1-19-21(3)25(7)37(26(8)22(19)4)39-29(11)33(15)41(34(16)30(39)12)42-35(17)31(13)40(32(14)36(42)18)38-27(9)23(5)20(2)24(6)28(38)10/h1-18H3
InChIKeyJHUBHWXNKXDNTR-UHFFFAOYSA-N
MW558.89 g/mol
LogP12.24
Rot. Bonds3

About 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

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 (PubChem CID 145429848) has the molecular formula C42H54 and a molecular weight of 558.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
PubChem CID145429848
Molecular FormulaC42H54
Molecular Weight558.89 g/mol
Exact Mass558.42
IUPAC Name1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c(-c3c(C)c(C)c(-c4c(C)c(C)c(C)c(C)c4C)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C42H54/c1-19-21(3)25(7)37(26(8)22(19)4)39-29(11)33(15)41(34(16)30(39)12)42-35(17)31(13)40(32(14)36(42)18)38-27(9)23(5)20(2)24(6)28(38)10/h1-18H3
InChIKeyJHUBHWXNKXDNTR-UHFFFAOYSA-N
XLogP12.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.89
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623
1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
CID 54008423
1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene
CID 59816825
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
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;methane
CID 159570864
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
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
CID 134902011
1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzothiophene
CID 59348400

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C)c(C)c(-c2c(C)c(C)c(-c3c(C)c(C)c(-c4c(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-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene?
The InChIKey is JHUBHWXNKXDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54/c1-19-21(3)25(7)37(26(8)22(19)4)39-29(11)33(15)41(34(16)30(39)12)42-35(17)31(13)40(32(14)36(42)18)38-27(9)23(5)20(2)24(6)28(38)10/h1-18H3.
What are the key properties of 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?
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 has a molecular weight of 558.89 g/mol, XLogP of 12.24, 3 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-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 145429848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).