1-phenylbuta-1,3-dienylbenzene;samarium

C16H14Sm — CID 173396801

IUPAC1-phenylbuta-1,3-dienylbenzene;samarium
SMILESC=CC=C(c1ccccc1)c1ccccc1.[Sm]
InChIInChI=1S/C16H14.Sm/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15;/h2-13H,1H2;
InChIKeyCYHPLRSVFRYTSC-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.30
Rot. Bonds3

About 1-phenylbuta-1,3-dienylbenzene;samarium

1-phenylbuta-1,3-dienylbenzene;samarium (PubChem CID 173396801) has the molecular formula C16H14Sm and a molecular weight of 356.65 g/mol. Its IUPAC name is 1-phenylbuta-1,3-dienylbenzene;samarium.

Molecular Properties

Compound Name1-phenylbuta-1,3-dienylbenzene;samarium
PubChem CID173396801
Molecular FormulaC16H14Sm
Molecular Weight356.65 g/mol
Exact Mass358.03
IUPAC Name1-phenylbuta-1,3-dienylbenzene;samarium
SMILESC=CC=C(c1ccccc1)c1ccccc1.[Sm]
InChIInChI=1S/C16H14.Sm/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15;/h2-13H,1H2;
InChIKeyCYHPLRSVFRYTSC-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis[(1Z)-1-phenylbuta-1,3-dienyl]benzene-1,2-diamine
CID 89196308
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline
CID 173389994
1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene
CID 139038108
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
(1Z)-1-phenylbuta-1,3-diene-1-thiol
CID 11193677
1,4-dimethyl-2-[(1E)-1-phenylbuta-1,3-dienyl]benzene
CID 102501340
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
CID 142314562
1-phenylhexa-1,3,5-trienylbenzene;propanoic acid
CID 158549919
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
CID 22124141
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036

Frequently Asked Questions

What is the IUPAC name of 1-phenylbuta-1,3-dienylbenzene;samarium?
The IUPAC name of 1-phenylbuta-1,3-dienylbenzene;samarium (CID 173396801) is 1-phenylbuta-1,3-dienylbenzene;samarium.
What is the SMILES notation for 1-phenylbuta-1,3-dienylbenzene;samarium?
The canonical SMILES for 1-phenylbuta-1,3-dienylbenzene;samarium is C=CC=C(c1ccccc1)c1ccccc1.[Sm].
What is the InChIKey of 1-phenylbuta-1,3-dienylbenzene;samarium?
The InChIKey is CYHPLRSVFRYTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.Sm/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15;/h2-13H,1H2;.
What are the key properties of 1-phenylbuta-1,3-dienylbenzene;samarium?
1-phenylbuta-1,3-dienylbenzene;samarium has a molecular weight of 356.65 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbuta-1,3-dienylbenzene;samarium is sourced from PubChem (CID 173396801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).