1-penta-1,4-dienylphenanthrene

C19H16 — CID 173210444

IUPAC1-penta-1,4-dienylphenanthrene
SMILESC=CCC=Cc1cccc2c1ccc1ccccc12
InChIInChI=1S/C19H16/c1-2-3-4-8-15-10-7-12-19-17-11-6-5-9-16(17)13-14-18(15)19/h2,4-14H,1,3H2
InChIKeyLKYINRCBBIEQPN-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.58
Rot. Bonds3

About 1-penta-1,4-dienylphenanthrene

1-penta-1,4-dienylphenanthrene (PubChem CID 173210444) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-penta-1,4-dienylphenanthrene.

Molecular Properties

Compound Name1-penta-1,4-dienylphenanthrene
PubChem CID173210444
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name1-penta-1,4-dienylphenanthrene
SMILESC=CCC=Cc1cccc2c1ccc1ccccc12
InChIInChI=1S/C19H16/c1-2-3-4-8-15-10-7-12-19-17-11-6-5-9-16(17)13-14-18(15)19/h2,4-14H,1,3H2
InChIKeyLKYINRCBBIEQPN-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_3', 'substructure': 'N/A'}

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Related Compounds

1-penta-1,4-dienylanthracene
CID 173210436
1-ethenylpicene
CID 174294618
ethene;picene
CID 175286520
2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline
CID 101480114
chrysene;iron
CID 157379031
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
2-naphthalen-1-ylethenamine
CID 69243468
1-(2-bromoethenyl)naphthalene
CID 71403351
1-pent-1-en-4-ynylnaphthalene
CID 175469906
(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine
CID 101129533
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
phenanthrene;pyrene;triphenylene
CID 162115949

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dienylphenanthrene?
The IUPAC name of 1-penta-1,4-dienylphenanthrene (CID 173210444) is 1-penta-1,4-dienylphenanthrene.
What is the SMILES notation for 1-penta-1,4-dienylphenanthrene?
The canonical SMILES for 1-penta-1,4-dienylphenanthrene is C=CCC=Cc1cccc2c1ccc1ccccc12.
What is the InChIKey of 1-penta-1,4-dienylphenanthrene?
The InChIKey is LKYINRCBBIEQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-2-3-4-8-15-10-7-12-19-17-11-6-5-9-16(17)13-14-18(15)19/h2,4-14H,1,3H2.
What are the key properties of 1-penta-1,4-dienylphenanthrene?
1-penta-1,4-dienylphenanthrene 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-dienylphenanthrene is sourced from PubChem (CID 173210444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).