naphthalene-2,3,6,7-tetracarbonitrile

C14H4N4 — CID 66972136

IUPACnaphthalene-2,3,6,7-tetracarbonitrile
SMILESN#Cc1cc2cc(C#N)c(C#N)cc2cc1C#N
InChIInChI=1S/C14H4N4/c15-5-11-1-9-2-13(7-17)14(8-18)4-10(9)3-12(11)6-16/h1-4H
InChIKeyLGSJQDNMGXBFCJ-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.33
Rot. Bonds

About naphthalene-2,3,6,7-tetracarbonitrile

naphthalene-2,3,6,7-tetracarbonitrile (PubChem CID 66972136) has the molecular formula C14H4N4 and a molecular weight of 228.21 g/mol. Its IUPAC name is naphthalene-2,3,6,7-tetracarbonitrile.

Molecular Properties

Compound Namenaphthalene-2,3,6,7-tetracarbonitrile
PubChem CID66972136
Molecular FormulaC14H4N4
Molecular Weight228.21 g/mol
Exact Mass228.04
IUPAC Namenaphthalene-2,3,6,7-tetracarbonitrile
SMILESN#Cc1cc2cc(C#N)c(C#N)cc2cc1C#N
InChIInChI=1S/C14H4N4/c15-5-11-1-9-2-13(7-17)14(8-18)4-10(9)3-12(11)6-16/h1-4H
InChIKeyLGSJQDNMGXBFCJ-UHFFFAOYSA-N
XLogP2.33
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,2,4,5-tetracarbonitrile
CID 12838
6,7-bis(sulfanyl)anthracene-2,3-dicarbonitrile
CID 89212287
naphthalene-2,3-dicarbonitrile
CID 601270
6-bromonaphthalene-2,3-dicarbonitrile
CID 784710
2,2-dimethylbenzo[f][1,3]benzodioxole-6,7-dicarbonitrile
CID 135012024
13,14-bis(sulfanyl)-15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-6,7-dicarbonitrile
CID 89212288
1-benzothiophene-5,6-dicarbonitrile
CID 14716418
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
6,7-bis(1H-pyrrol-2-yl)naphthalene-2,3-dicarbonitrile
CID 162415455
hexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene-14,15-dicarbonitrile
CID 139436117
6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile
CID 134401198
2-hydroxy-1-benzothiophene-5,6-dicarbonitrile
CID 130816987

Frequently Asked Questions

What is the IUPAC name of naphthalene-2,3,6,7-tetracarbonitrile?
The IUPAC name of naphthalene-2,3,6,7-tetracarbonitrile (CID 66972136) is naphthalene-2,3,6,7-tetracarbonitrile.
What is the SMILES notation for naphthalene-2,3,6,7-tetracarbonitrile?
The canonical SMILES for naphthalene-2,3,6,7-tetracarbonitrile is N#Cc1cc2cc(C#N)c(C#N)cc2cc1C#N.
What is the InChIKey of naphthalene-2,3,6,7-tetracarbonitrile?
The InChIKey is LGSJQDNMGXBFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4N4/c15-5-11-1-9-2-13(7-17)14(8-18)4-10(9)3-12(11)6-16/h1-4H.
What are the key properties of naphthalene-2,3,6,7-tetracarbonitrile?
naphthalene-2,3,6,7-tetracarbonitrile has a molecular weight of 228.21 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,3,6,7-tetracarbonitrile is sourced from PubChem (CID 66972136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).