acenaphthylene-1,2,5-tricarbonitrile

C15H5N3 — CID 13062652

IUPACacenaphthylene-1,2,5-tricarbonitrile
SMILESN#CC1=C(C#N)c2ccc(C#N)c3cccc1c23
InChIInChI=1S/C15H5N3/c16-6-9-4-5-12-14(8-18)13(7-17)11-3-1-2-10(9)15(11)12/h1-5H
InChIKeyLLSNFLCCHNTXNG-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.98
Rot. Bonds

About acenaphthylene-1,2,5-tricarbonitrile

acenaphthylene-1,2,5-tricarbonitrile (PubChem CID 13062652) has the molecular formula C15H5N3 and a molecular weight of 227.23 g/mol. Its IUPAC name is acenaphthylene-1,2,5-tricarbonitrile.

Molecular Properties

Compound Nameacenaphthylene-1,2,5-tricarbonitrile
PubChem CID13062652
Molecular FormulaC15H5N3
Molecular Weight227.23 g/mol
Exact Mass227.05
IUPAC Nameacenaphthylene-1,2,5-tricarbonitrile
SMILESN#CC1=C(C#N)c2ccc(C#N)c3cccc1c23
InChIInChI=1S/C15H5N3/c16-6-9-4-5-12-14(8-18)13(7-17)11-3-1-2-10(9)15(11)12/h1-5H
InChIKeyLLSNFLCCHNTXNG-UHFFFAOYSA-N
XLogP2.98
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
CID 70854915
15,17-dioxo-16-oxahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2(23),3,5,7,9,11(21),12,14(22),18-decaene-5-carbonitrile
CID 58729225
4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]naphthalene-1-carbonitrile
CID 70847157
3,10-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16(30),17,19,21,23,25(29),26-pentadecaene-19-carbonitrile
CID 20749544
4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-1-carbonitrile
CID 165376112
2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847250
7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
CID 166868408
4-(20,20-dimethyl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaenyl)naphthalene-1-carbonitrile
CID 118965152
phosphinoline-4-carbonitrile
CID 134902124
naphthalene-1-carbonitrile;sulfane
CID 175607355
5-amino-4-(methylamino)naphthalene-1-carbonitrile
CID 123962869
8-(4-isocyanonaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20,22(24)-dodecaene-19-carbonitrile
CID 59090448

Frequently Asked Questions

What is the IUPAC name of acenaphthylene-1,2,5-tricarbonitrile?
The IUPAC name of acenaphthylene-1,2,5-tricarbonitrile (CID 13062652) is acenaphthylene-1,2,5-tricarbonitrile.
What is the SMILES notation for acenaphthylene-1,2,5-tricarbonitrile?
The canonical SMILES for acenaphthylene-1,2,5-tricarbonitrile is N#CC1=C(C#N)c2ccc(C#N)c3cccc1c23.
What is the InChIKey of acenaphthylene-1,2,5-tricarbonitrile?
The InChIKey is LLSNFLCCHNTXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5N3/c16-6-9-4-5-12-14(8-18)13(7-17)11-3-1-2-10(9)15(11)12/h1-5H.
What are the key properties of acenaphthylene-1,2,5-tricarbonitrile?
acenaphthylene-1,2,5-tricarbonitrile has a molecular weight of 227.23 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene-1,2,5-tricarbonitrile is sourced from PubChem (CID 13062652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).