1-ethenyl-2-heptylanthracene

C23H26 — CID 173321573

IUPAC1-ethenyl-2-heptylanthracene
SMILESC=Cc1c(CCCCCCC)ccc2cc3ccccc3cc12
InChIInChI=1S/C23H26/c1-3-5-6-7-8-11-18-14-15-21-16-19-12-9-10-13-20(19)17-23(21)22(18)4-2/h4,9-10,12-17H,2-3,5-8,11H2,1H3
InChIKeyGFAYZFXOIMKKHX-UHFFFAOYSA-N
MW302.46 g/mol
LogP7.15
Rot. Bonds7

About 1-ethenyl-2-heptylanthracene

1-ethenyl-2-heptylanthracene (PubChem CID 173321573) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-ethenyl-2-heptylanthracene.

Molecular Properties

Compound Name1-ethenyl-2-heptylanthracene
PubChem CID173321573
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-ethenyl-2-heptylanthracene
SMILESC=Cc1c(CCCCCCC)ccc2cc3ccccc3cc12
InChIInChI=1S/C23H26/c1-3-5-6-7-8-11-18-14-15-21-16-19-12-9-10-13-20(19)17-23(21)22(18)4-2/h4,9-10,12-17H,2-3,5-8,11H2,1H3
InChIKeyGFAYZFXOIMKKHX-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-hexylanthracene
CID 18927849
1-dodecylpentacene
CID 141370235
lithium;1-hexylanthracene;hydride
CID 174350658
2-ethenyl-1-heptylanthracene
CID 19033824
1-ethenyl-2-(4-pentylphenyl)tetracene
CID 173173804
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
N-dodecyl-2-icosyl-N-octylanthracen-1-amine
CID 141301585
2,3-diheptylanthracene
CID 14089075
1,3-didecyl-2-ethenylbenzene
CID 10572118
2,3-dioctadecylpentacene
CID 91251003
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793
1-hexylbenzo[a]pyrene
CID 139846085

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-heptylanthracene?
The IUPAC name of 1-ethenyl-2-heptylanthracene (CID 173321573) is 1-ethenyl-2-heptylanthracene.
What is the SMILES notation for 1-ethenyl-2-heptylanthracene?
The canonical SMILES for 1-ethenyl-2-heptylanthracene is C=Cc1c(CCCCCCC)ccc2cc3ccccc3cc12.
What is the InChIKey of 1-ethenyl-2-heptylanthracene?
The InChIKey is GFAYZFXOIMKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-3-5-6-7-8-11-18-14-15-21-16-19-12-9-10-13-20(19)17-23(21)22(18)4-2/h4,9-10,12-17H,2-3,5-8,11H2,1H3.
What are the key properties of 1-ethenyl-2-heptylanthracene?
1-ethenyl-2-heptylanthracene has a molecular weight of 302.46 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-heptylanthracene is sourced from PubChem (CID 173321573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).