1-penta-1,4-dien-3-ylanthracene

C19H16 — CID 21275728

IUPAC1-penta-1,4-dien-3-ylanthracene
SMILESC=CC(C=C)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H16/c1-3-14(4-2)18-11-7-10-17-12-15-8-5-6-9-16(15)13-19(17)18/h3-14H,1-2H2
InChIKeyPSFBNTVMPXXFKD-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.45
Rot. Bonds3

About 1-penta-1,4-dien-3-ylanthracene

1-penta-1,4-dien-3-ylanthracene (PubChem CID 21275728) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-penta-1,4-dien-3-ylanthracene.

Molecular Properties

Compound Name1-penta-1,4-dien-3-ylanthracene
PubChem CID21275728
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name1-penta-1,4-dien-3-ylanthracene
SMILESC=CC(C=C)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H16/c1-3-14(4-2)18-11-7-10-17-12-15-8-5-6-9-16(15)13-19(17)18/h3-14H,1-2H2
InChIKeyPSFBNTVMPXXFKD-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-anthracen-1-ylpropanal
CID 123532907
2-anthracen-1-ylpropanoic acid
CID 57031488
N-ethenylanthracen-1-amine
CID 150752959
2-anthracen-1-ylpentanal
CID 173287359
heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene;tetracene
CID 173170734
pentacene-1-thiol
CID 86230358
1-prop-2-enyltetracene
CID 162689403
1-prop-2-enoxyanthracene
CID 141089148
1-tridecan-7-ylanthracene
CID 150514951
[anthracen-1-yl(carboxy)methyl]-methyliodanium
CID 18671184
7-methyl-1-propan-2-ylanthracene
CID 144739282
1-penta-1,4-dienylanthracene
CID 173210436

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dien-3-ylanthracene?
The IUPAC name of 1-penta-1,4-dien-3-ylanthracene (CID 21275728) is 1-penta-1,4-dien-3-ylanthracene.
What is the SMILES notation for 1-penta-1,4-dien-3-ylanthracene?
The canonical SMILES for 1-penta-1,4-dien-3-ylanthracene is C=CC(C=C)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-penta-1,4-dien-3-ylanthracene?
The InChIKey is PSFBNTVMPXXFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-3-14(4-2)18-11-7-10-17-12-15-8-5-6-9-16(15)13-19(17)18/h3-14H,1-2H2.
What are the key properties of 1-penta-1,4-dien-3-ylanthracene?
1-penta-1,4-dien-3-ylanthracene has a molecular weight of 244.34 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dien-3-ylanthracene is sourced from PubChem (CID 21275728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).