1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene

C28H42 — CID 158215736

IUPAC1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
SMILESCc1c(C)c(C)c(C(C)(C)C)c(-c2c(C)c(C)c(C)c(C)c2C(C)(C)C)c1C
InChIInChI=1S/C28H42/c1-15-17(3)21(7)25(27(9,10)11)23(19(15)5)24-20(6)16(2)18(4)22(8)26(24)28(12,13)14/h1-14H3
InChIKeyRBKKNOBVQRDNRQ-UHFFFAOYSA-N
MW378.64 g/mol
LogP8.42
Rot. Bonds1

About 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene

1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene (PubChem CID 158215736) has the molecular formula C28H42 and a molecular weight of 378.64 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
PubChem CID158215736
Molecular FormulaC28H42
Molecular Weight378.64 g/mol
Exact Mass378.33
IUPAC Name1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
SMILESCc1c(C)c(C)c(C(C)(C)C)c(-c2c(C)c(C)c(C)c(C)c2C(C)(C)C)c1C
InChIInChI=1S/C28H42/c1-15-17(3)21(7)25(27(9,10)11)23(19(15)5)24-20(6)16(2)18(4)22(8)26(24)28(12,13)14/h1-14H3
InChIKeyRBKKNOBVQRDNRQ-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene with MolForge

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Related Compounds

1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
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-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene
CID 177164179
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetrafluorophenyl)-3,4,5-trifluoro-6-methylbenzene
CID 158547115
1,4-ditert-butyl-2,3-dimethylnaphthalene
CID 163647560
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623
2-[2,3,4,6-tetramethyl-5-(2-sulfanylpropan-2-yl)phenyl]propane-2-thiol
CID 121337528
dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane
CID 134906131
1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene
CID 90880331
3,5-ditert-butyl-2,4,6-trimethylphenol
CID 19934176
1-tert-butyl-4-methylbenzene;1,4-ditert-butyl-2,3,5,6-tetramethylbenzene;methane
CID 159929613

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene?
The IUPAC name of 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene (CID 158215736) is 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene.
What is the SMILES notation for 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene?
The canonical SMILES for 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene is Cc1c(C)c(C)c(C(C)(C)C)c(-c2c(C)c(C)c(C)c(C)c2C(C)(C)C)c1C.
What is the InChIKey of 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene?
The InChIKey is RBKKNOBVQRDNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42/c1-15-17(3)21(7)25(27(9,10)11)23(19(15)5)24-20(6)16(2)18(4)22(8)26(24)28(12,13)14/h1-14H3.
What are the key properties of 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene?
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene has a molecular weight of 378.64 g/mol, XLogP of 8.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene is sourced from PubChem (CID 158215736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).