1-penta-1,4-dienylanthracene

C19H16 — CID 173210436

IUPAC1-penta-1,4-dienylanthracene
SMILESC=CCC=Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H16/c1-2-3-4-8-15-11-7-12-18-13-16-9-5-6-10-17(16)14-19(15)18/h2,4-14H,1,3H2
InChIKeyVXMWOCGFKUATTE-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.58
Rot. Bonds3

About 1-penta-1,4-dienylanthracene

1-penta-1,4-dienylanthracene (PubChem CID 173210436) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-penta-1,4-dienylanthracene.

Molecular Properties

Compound Name1-penta-1,4-dienylanthracene
PubChem CID173210436
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name1-penta-1,4-dienylanthracene
SMILESC=CCC=Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H16/c1-2-3-4-8-15-11-7-12-18-13-16-9-5-6-10-17(16)14-19(15)18/h2,4-14H,1,3H2
InChIKeyVXMWOCGFKUATTE-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
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

1-penta-1,4-dienylphenanthrene
CID 173210444
1-[(E)-pent-1-enyl]anthracene
CID 173041440
1-prop-1-enylanthracene
CID 54542061
2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline
CID 87767218
1-prop-2-enyltetracene
CID 162689403
3-anthracen-1-ylprop-2-enamide
CID 118453469
4-(3-anthracen-1-ylprop-2-enyl)-2,6-ditert-butylphenol
CID 150408596
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
3-tetracen-1-ylprop-2-enamide
CID 118453445
1-prop-2-enoxyanthracene
CID 141089148

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dienylanthracene?
The IUPAC name of 1-penta-1,4-dienylanthracene (CID 173210436) is 1-penta-1,4-dienylanthracene.
What is the SMILES notation for 1-penta-1,4-dienylanthracene?
The canonical SMILES for 1-penta-1,4-dienylanthracene is C=CCC=Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-penta-1,4-dienylanthracene?
The InChIKey is VXMWOCGFKUATTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-2-3-4-8-15-11-7-12-18-13-16-9-5-6-10-17(16)14-19(15)18/h2,4-14H,1,3H2.
What are the key properties of 1-penta-1,4-dienylanthracene?
1-penta-1,4-dienylanthracene has a molecular weight of 244.34 g/mol, XLogP of 5.58, 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-dienylanthracene is sourced from PubChem (CID 173210436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).