1-(2-ethyl-3H-inden-4-yl)anthracene

C25H20 — CID 57323810

IUPAC1-(2-ethyl-3H-inden-4-yl)anthracene
SMILESCCC1=Cc2cccc(-c3cccc4cc5ccccc5cc34)c2C1
InChIInChI=1S/C25H20/c1-2-17-13-20-9-5-11-22(24(20)14-17)23-12-6-10-21-15-18-7-3-4-8-19(18)16-25(21)23/h3-13,15-16H,2,14H2,1H3
InChIKeyQHHDIFPPXIDHBF-UHFFFAOYSA-N
MW320.44 g/mol
LogP7.01
Rot. Bonds2

About 1-(2-ethyl-3H-inden-4-yl)anthracene

1-(2-ethyl-3H-inden-4-yl)anthracene (PubChem CID 57323810) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2-ethyl-3H-inden-4-yl)anthracene.

Molecular Properties

Compound Name1-(2-ethyl-3H-inden-4-yl)anthracene
PubChem CID57323810
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name1-(2-ethyl-3H-inden-4-yl)anthracene
SMILESCCC1=Cc2cccc(-c3cccc4cc5ccccc5cc34)c2C1
InChIInChI=1S/C25H20/c1-2-17-13-20-9-5-11-22(24(20)14-17)23-12-6-10-21-15-18-7-3-4-8-19(18)16-25(21)23/h3-13,15-16H,2,14H2,1H3
InChIKeyQHHDIFPPXIDHBF-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 57.01
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

1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene
CID 57131873
2-ethyl-7-(4-methylphenyl)-1H-indene
CID 57273568
1-(2-phenylphenyl)anthracene
CID 21435778
2-(2-methyl-3H-inden-4-yl)naphthalene
CID 158464529
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
9,10-di(anthracen-1-yl)anthracene
CID 58645093
2-(2-propan-2-yl-3H-inden-4-yl)naphthalene
CID 91423371
hydron;1-phenylanthracene
CID 174351162
1-(4-bromophenyl)anthracene
CID 141156344
4-anthracen-1-ylaniline
CID 18974595
1-(2,6-dimethylphenyl)pentacene
CID 163989342
heptacyclo[15.12.0.02,15.05,14.06,11.018,27.020,25]nonacosa-1(17),2(15),3,5(14),6,8,10,12,18,20,22,24,26,28-tetradecaene
CID 59742046

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3H-inden-4-yl)anthracene?
The IUPAC name of 1-(2-ethyl-3H-inden-4-yl)anthracene (CID 57323810) is 1-(2-ethyl-3H-inden-4-yl)anthracene.
What is the SMILES notation for 1-(2-ethyl-3H-inden-4-yl)anthracene?
The canonical SMILES for 1-(2-ethyl-3H-inden-4-yl)anthracene is CCC1=Cc2cccc(-c3cccc4cc5ccccc5cc34)c2C1.
What is the InChIKey of 1-(2-ethyl-3H-inden-4-yl)anthracene?
The InChIKey is QHHDIFPPXIDHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-2-17-13-20-9-5-11-22(24(20)14-17)23-12-6-10-21-15-18-7-3-4-8-19(18)16-25(21)23/h3-13,15-16H,2,14H2,1H3.
What are the key properties of 1-(2-ethyl-3H-inden-4-yl)anthracene?
1-(2-ethyl-3H-inden-4-yl)anthracene has a molecular weight of 320.44 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3H-inden-4-yl)anthracene is sourced from PubChem (CID 57323810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).