1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene

C25H28 — CID 21477505

IUPAC1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
SMILESCc1ccc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C25H28/c1-17-6-8-18(9-7-17)19-10-11-20-15-22-23(16-21(20)14-19)25(4,5)13-12-24(22,2)3/h6-11,14-16H,12-13H2,1-5H3
InChIKeyVXVUXIUOJHCANA-UHFFFAOYSA-N
MW328.50 g/mol
LogP7.16
Rot. Bonds1

About 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene

1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene (PubChem CID 21477505) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
PubChem CID21477505
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
SMILESCc1ccc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C25H28/c1-17-6-8-18(9-7-17)19-10-11-20-15-22-23(16-21(20)14-19)25(4,5)13-12-24(22,2)3/h6-11,14-16H,12-13H2,1-5H3
InChIKeyVXVUXIUOJHCANA-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene?
The IUPAC name of 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene (CID 21477505) is 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene is Cc1ccc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)cc1.
What is the InChIKey of 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene?
The InChIKey is VXVUXIUOJHCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-17-6-8-18(9-7-17)19-10-11-20-15-22-23(16-21(20)14-19)25(4,5)13-12-24(22,2)3/h6-11,14-16H,12-13H2,1-5H3.
What are the key properties of 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene?
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene has a molecular weight of 328.50 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene is sourced from PubChem (CID 21477505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).