3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline

C22H19N — CID 59769897

IUPAC3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline
SMILESNc1cccc(C=C2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C22H19N/c23-19-9-5-6-16(14-19)15-22-20-10-3-1-7-17(20)12-13-18-8-2-4-11-21(18)22/h1-11,14-15H,12-13,23H2
InChIKeyOASXJJFETRSRIE-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.96
Rot. Bonds1

About 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline

3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline (PubChem CID 59769897) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline.

Molecular Properties

Compound Name3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline
PubChem CID59769897
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline
SMILESNc1cccc(C=C2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C22H19N/c23-19-9-5-6-16(14-19)15-22-20-10-3-1-7-17(20)12-13-18-8-2-4-11-21(18)22/h1-11,14-15H,12-13,23H2
InChIKeyOASXJJFETRSRIE-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline?
The IUPAC name of 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline (CID 59769897) is 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline.
What is the SMILES notation for 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline?
The canonical SMILES for 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline is Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1.
What is the InChIKey of 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline?
The InChIKey is OASXJJFETRSRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c23-19-9-5-6-16(14-19)15-22-20-10-3-1-7-17(20)12-13-18-8-2-4-11-21(18)22/h1-11,14-15H,12-13,23H2.
What are the key properties of 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline?
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline has a molecular weight of 297.40 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)aniline is sourced from PubChem (CID 59769897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).