2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile

C18H17N — CID 170886247

IUPAC2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile
SMILESN#CCc1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C18H17N/c19-12-11-18-13-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10,13H,5-7,9,11H2
InChIKeyHTRHDWZXUWOTSE-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.64
Rot. Bonds1

About 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile

2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile (PubChem CID 170886247) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile.

Molecular Properties

Compound Name2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile
PubChem CID170886247
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile
SMILESN#CCc1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C18H17N/c19-12-11-18-13-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10,13H,5-7,9,11H2
InChIKeyHTRHDWZXUWOTSE-UHFFFAOYSA-N
XLogP3.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-1-[12-(3-phenylprop-2-ynyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]prop-2-yn-1-one
CID 11419566
5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 134864318
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356
2-amino-3-(2-bicyclo[2.2.2]octa-1,3,5-trienyl)propanoic acid
CID 164530915
12-(hydroxymethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylic acid
CID 5237651
2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile
CID 117277009
2-(3-oxo-1,2-dihydroinden-5-yl)acetonitrile
CID 69202093
bis(acetonitrile);13λ6,15λ6-dithia-14-azatetracyclo[8.7.2.04,16.07,12]nonadeca-1(17),2,4(16),7(12),8,10-hexaene 13,13,15,15-tetraoxide
CID 139063783
3,16-dithiaheptacyclo[16.8.2.25,14.28,11.221,24.02,17.04,15]tetratriaconta-1,4,8,10,14,17,21,23,27,29,31,33-dodecaene
CID 101182324
2-[2-[1-(hydroxymethyl)cyclopropyl]phenyl]acetonitrile
CID 115110953
5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 15073818
2-[2-(1-methoxycyclopropyl)phenyl]acetonitrile
CID 115110930

Frequently Asked Questions

What is the IUPAC name of 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile?
The IUPAC name of 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile (CID 170886247) is 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile.
What is the SMILES notation for 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile?
The canonical SMILES for 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile is N#CCc1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile?
The InChIKey is HTRHDWZXUWOTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c19-12-11-18-13-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10,13H,5-7,9,11H2.
What are the key properties of 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile?
2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile has a molecular weight of 247.34 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile is sourced from PubChem (CID 170886247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).