2-ethenyl-1-heptylanthracene

C23H26 — CID 19033824

IUPAC2-ethenyl-1-heptylanthracene
SMILESC=Cc1ccc2cc3ccccc3cc2c1CCCCCCC
InChIInChI=1S/C23H26/c1-3-5-6-7-8-13-22-18(4-2)14-15-21-16-19-11-9-10-12-20(19)17-23(21)22/h4,9-12,14-17H,2-3,5-8,13H2,1H3
InChIKeyKYSRAERQWOYLNQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP7.15
Rot. Bonds7

About 2-ethenyl-1-heptylanthracene

2-ethenyl-1-heptylanthracene (PubChem CID 19033824) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-ethenyl-1-heptylanthracene.

Molecular Properties

Compound Name2-ethenyl-1-heptylanthracene
PubChem CID19033824
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name2-ethenyl-1-heptylanthracene
SMILESC=Cc1ccc2cc3ccccc3cc2c1CCCCCCC
InChIInChI=1S/C23H26/c1-3-5-6-7-8-13-22-18(4-2)14-15-21-16-19-11-9-10-12-20(19)17-23(21)22/h4,9-12,14-17H,2-3,5-8,13H2,1H3
InChIKeyKYSRAERQWOYLNQ-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-heptylanthracene
CID 173321573
1-ethenyl-2-hexylanthracene
CID 18927849
1-octylanthracen-2-amine
CID 87887472
2-ethenyl-1-methylhexacene
CID 143109680
1-ethenyl-2-(4-pentylphenyl)tetracene
CID 173173804
1-dodecylpentacene
CID 141370235
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
1,2-dihexylnaphtho[2,3-e][1]benzothiole
CID 141119739
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
lithium;1-hexylanthracene;hydride
CID 174350658
1,2,3,4-tetrabutylpentacene
CID 22061721
2-octylanthracene
CID 23131226

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-heptylanthracene?
The IUPAC name of 2-ethenyl-1-heptylanthracene (CID 19033824) is 2-ethenyl-1-heptylanthracene.
What is the SMILES notation for 2-ethenyl-1-heptylanthracene?
The canonical SMILES for 2-ethenyl-1-heptylanthracene is C=Cc1ccc2cc3ccccc3cc2c1CCCCCCC.
What is the InChIKey of 2-ethenyl-1-heptylanthracene?
The InChIKey is KYSRAERQWOYLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-3-5-6-7-8-13-22-18(4-2)14-15-21-16-19-11-9-10-12-20(19)17-23(21)22/h4,9-12,14-17H,2-3,5-8,13H2,1H3.
What are the key properties of 2-ethenyl-1-heptylanthracene?
2-ethenyl-1-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 2-ethenyl-1-heptylanthracene is sourced from PubChem (CID 19033824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).