2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine

C18H17N — CID 139420658

IUPAC2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
SMILESC=C(/C=C(\C=C/C)c1ccccn1)c1ccccc1
InChIInChI=1S/C18H17N/c1-3-9-17(18-12-7-8-13-19-18)14-15(2)16-10-5-4-6-11-16/h3-14H,2H2,1H3/b9-3-,17-14+
InChIKeyKKWRKPHORCWEOH-BVYUJLCZSA-N
MW247.34 g/mol
LogP4.75
Rot. Bonds4

About 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine

2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine (PubChem CID 139420658) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine.

Molecular Properties

Compound Name2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
PubChem CID139420658
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
SMILESC=C(/C=C(\C=C/C)c1ccccn1)c1ccccc1
InChIInChI=1S/C18H17N/c1-3-9-17(18-12-7-8-13-19-18)14-15(2)16-10-5-4-6-11-16/h3-14H,2H2,1H3/b9-3-,17-14+
InChIKeyKKWRKPHORCWEOH-BVYUJLCZSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
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CID 145320713
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine
CID 142986451
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
2-[(3E,5Z)-4-[(Z)-2-(2-methylphenyl)ethenyl]hepta-1,3,5-trien-2-yl]pyridine
CID 142200200
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
CID 142487989
ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine
CID 142201812
(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107
(3Z,6E)-7-methyl-4-[[(Z)-1-phenylbut-2-enylidene]amino]-3-pyridin-2-ylnona-1,3,6-trien-2-amine
CID 173478401
(2E,4E)-N-[2-[2-(2-methyl-6-phenyl-4-pyridin-2-ylpyridin-1-ium-1-yl)ethylsulfanyl]ethyl]-1-phenyl-3-pyridin-2-ylhexa-2,4-dien-1-imine
CID 142064365
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine?
The IUPAC name of 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine (CID 139420658) is 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine.
What is the SMILES notation for 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine?
The canonical SMILES for 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine is C=C(/C=C(\C=C/C)c1ccccn1)c1ccccc1.
What is the InChIKey of 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine?
The InChIKey is KKWRKPHORCWEOH-BVYUJLCZSA-N. The full InChI is InChI=1S/C18H17N/c1-3-9-17(18-12-7-8-13-19-18)14-15(2)16-10-5-4-6-11-16/h3-14H,2H2,1H3/b9-3-,17-14+.
What are the key properties of 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine?
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine has a molecular weight of 247.34 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine is sourced from PubChem (CID 139420658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).