5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine

C23H25N — CID 20816

IUPAC5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(CCC=C2c3ccccc3CCc3ccccc32)CNCC1
InChIInChI=1S/C23H25N/c1-3-11-21-19(9-1)14-15-20-10-2-4-12-22(20)23(21)13-5-7-18-8-6-16-24-17-18/h1-4,8-13,24H,5-7,14-17H2
InChIKeySNUQTJCQTYFDTE-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.92
Rot. Bonds3

About 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine

5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine (PubChem CID 20816) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine
PubChem CID20816
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(CCC=C2c3ccccc3CCc3ccccc32)CNCC1
InChIInChI=1S/C23H25N/c1-3-11-21-19(9-1)14-15-20-10-2-4-12-22(20)23(21)13-5-7-18-8-6-16-24-17-18/h1-4,8-13,24H,5-7,14-17H2
InChIKeySNUQTJCQTYFDTE-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine (CID 20816) is 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine is C1=C(CCC=C2c3ccccc3CCc3ccccc32)CNCC1.
What is the InChIKey of 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is SNUQTJCQTYFDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-3-11-21-19(9-1)14-15-20-10-2-4-12-22(20)23(21)13-5-7-18-8-6-16-24-17-18/h1-4,8-13,24H,5-7,14-17H2.
What are the key properties of 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine?
5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 315.46 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 20816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).