9-(2,2,5,5-tetramethylhexan-3-yl)anthracene

C24H30 — CID 143687855

IUPAC9-(2,2,5,5-tetramethylhexan-3-yl)anthracene
SMILESCC(C)(C)CC(c1c2ccccc2cc2ccccc12)C(C)(C)C
InChIInChI=1S/C24H30/c1-23(2,3)16-21(24(4,5)6)22-19-13-9-7-11-17(19)15-18-12-8-10-14-20(18)22/h7-15,21H,16H2,1-6H3
InChIKeyZGSSQOAEBJAAIH-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.56
Rot. Bonds2

About 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene

9-(2,2,5,5-tetramethylhexan-3-yl)anthracene (PubChem CID 143687855) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene.

Molecular Properties

Compound Name9-(2,2,5,5-tetramethylhexan-3-yl)anthracene
PubChem CID143687855
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name9-(2,2,5,5-tetramethylhexan-3-yl)anthracene
SMILESCC(C)(C)CC(c1c2ccccc2cc2ccccc12)C(C)(C)C
InChIInChI=1S/C24H30/c1-23(2,3)16-21(24(4,5)6)22-19-13-9-7-11-17(19)15-18-12-8-10-14-20(18)22/h7-15,21H,16H2,1-6H3
InChIKeyZGSSQOAEBJAAIH-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran
CID 143903536
9-(dichloromethyl)anthracene
CID 4281288
1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol
CID 10498878
(1S)-1-anthracen-9-yl-2-fluoroethanamine
CID 171197554
2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol
CID 143656034
S-methyl (2R)-2-anthracen-9-yl-2-[(2-methylpropan-2-yl)oxy]ethanethioate
CID 102335415
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
2-anthracen-9-ylpropan-2-amine
CID 173326839
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
1-anthracen-9-yl-3-tert-butyl-3,5-dimethylhexan-2-one
CID 91136542

Frequently Asked Questions

What is the IUPAC name of 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene?
The IUPAC name of 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene (CID 143687855) is 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene.
What is the SMILES notation for 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene?
The canonical SMILES for 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene is CC(C)(C)CC(c1c2ccccc2cc2ccccc12)C(C)(C)C.
What is the InChIKey of 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene?
The InChIKey is ZGSSQOAEBJAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-23(2,3)16-21(24(4,5)6)22-19-13-9-7-11-17(19)15-18-12-8-10-14-20(18)22/h7-15,21H,16H2,1-6H3.
What are the key properties of 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene?
9-(2,2,5,5-tetramethylhexan-3-yl)anthracene has a molecular weight of 318.50 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2,5,5-tetramethylhexan-3-yl)anthracene is sourced from PubChem (CID 143687855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).