2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile

C148H150N18O2 — CID 159726231

IUPAC2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile
SMILESCCCN(CCC)c1ccc(-c2ccccc2C#N)cc1.CCN(CC)c1ccc(-c2ccccc2C#N)cc1.CCN(CC)c1ccc2cc(-c3ccccc3C#N)ccc2c1.CN(C)c1ccc2cc(-c3ccccc3C#N)ccc2c1.CN1CCN(c2ccc(-c3ccccc3C#N)cc2)CC1.N#Cc1ccccc1-c1ccc(N2CCCCC2)cc1.N#Cc1ccccc1-c1ccc(N2CCOCC2)cc1.N#Cc1ccccc1-c1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C21H20N2.C19H21N3O.C19H16N2.C19H22N2.C18H19N3.C18H18N2.C17H16N2O.C17H18N2/c1-3-23(4-2)20-12-11-16-13-18(10-9-17(16)14-20)21-8-6-5-7-19(21)15-22;20-15-17-3-1-2-4-19(17)16-5-7-18(8-6-16)21-9-10-22-11-13-23-14-12-22;1-21(2)18-10-9-14-11-16(8-7-15(14)12-18)19-6-4-3-5-17(19)13-20;1-3-13-21(14-4-2)18-11-9-16(10-12-18)19-8-6-5-7-17(19)15-20;1-20-10-12-21(13-11-20)17-8-6-15(7-9-17)18-5-3-2-4-16(18)14-19;19-14-16-6-2-3-7-18(16)15-8-10-17(11-9-15)20-12-4-1-5-13-20;18-13-15-3-1-2-4-17(15)14-5-7-16(8-6-14)19-9-11-20-12-10-19;1-3-19(4-2)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-18/h5-14H,3-4H2,1-2H3;1-8,21H,9-14H2;3-12H,1-2H3;5-12H,3-4,13-14H2,1-2H3;2-9H,10-13H2,1H3;2-3,6-11H,1,4-5,12-13H2;1-8H,9-12H2;5-12H,3-4H2,1-2H3
InChIKeyNARAPHPIADSPSS-UHFFFAOYSA-N
MW2212.95 g/mol
LogP31.82
Rot. Bonds27

About 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile

2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile (PubChem CID 159726231) has the molecular formula C148H150N18O2 and a molecular weight of 2212.95 g/mol. Its IUPAC name is 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile
PubChem CID159726231
Molecular FormulaC148H150N18O2
Molecular Weight2212.95 g/mol
Exact Mass2211.22
IUPAC Name2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile
SMILESCCCN(CCC)c1ccc(-c2ccccc2C#N)cc1.CCN(CC)c1ccc(-c2ccccc2C#N)cc1.CCN(CC)c1ccc2cc(-c3ccccc3C#N)ccc2c1.CN(C)c1ccc2cc(-c3ccccc3C#N)ccc2c1.CN1CCN(c2ccc(-c3ccccc3C#N)cc2)CC1.N#Cc1ccccc1-c1ccc(N2CCCCC2)cc1.N#Cc1ccccc1-c1ccc(N2CCOCC2)cc1.N#Cc1ccccc1-c1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C21H20N2.C19H21N3O.C19H16N2.C19H22N2.C18H19N3.C18H18N2.C17H16N2O.C17H18N2/c1-3-23(4-2)20-12-11-16-13-18(10-9-17(16)14-20)21-8-6-5-7-19(21)15-22;20-15-17-3-1-2-4-19(17)16-5-7-18(8-6-16)21-9-10-22-11-13-23-14-12-22;1-21(2)18-10-9-14-11-16(8-7-15(14)12-18)19-6-4-3-5-17(19)13-20;1-3-13-21(14-4-2)18-11-9-16(10-12-18)19-8-6-5-7-17(19)15-20;1-20-10-12-21(13-11-20)17-8-6-15(7-9-17)18-5-3-2-4-16(18)14-19;19-14-16-6-2-3-7-18(16)15-8-10-17(11-9-15)20-12-4-1-5-13-20;18-13-15-3-1-2-4-17(15)14-5-7-16(8-6-14)19-9-11-20-12-10-19;1-3-19(4-2)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-18/h5-14H,3-4H2,1-2H3;1-8,21H,9-14H2;3-12H,1-2H3;5-12H,3-4,13-14H2,1-2H3;2-9H,10-13H2,1H3;2-3,6-11H,1,4-5,12-13H2;1-8H,9-12H2;5-12H,3-4H2,1-2H3
InChIKeyNARAPHPIADSPSS-UHFFFAOYSA-N
XLogP31.82
TPSA249.97 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002212.95
LogP ≤ 531.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile?
The IUPAC name of 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile (CID 159726231) is 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile.
What is the SMILES notation for 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile?
The canonical SMILES for 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile is CCCN(CCC)c1ccc(-c2ccccc2C#N)cc1.CCN(CC)c1ccc(-c2ccccc2C#N)cc1.CCN(CC)c1ccc2cc(-c3ccccc3C#N)ccc2c1.CN(C)c1ccc2cc(-c3ccccc3C#N)ccc2c1.CN1CCN(c2ccc(-c3ccccc3C#N)cc2)CC1.N#Cc1ccccc1-c1ccc(N2CCCCC2)cc1.N#Cc1ccccc1-c1ccc(N2CCOCC2)cc1.N#Cc1ccccc1-c1ccc(NCCN2CCOCC2)cc1.
What is the InChIKey of 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile?
The InChIKey is NARAPHPIADSPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2.C19H21N3O.C19H16N2.C19H22N2.C18H19N3.C18H18N2.C17H16N2O.C17H18N2/c1-3-23(4-2)20-12-11-16-13-18(10-9-17(16)14-20)21-8-6-5-7-19(21)15-22;20-15-17-3-1-2-4-19(17)16-5-7-18(8-6-16)21-9-10-22-11-13-23-14-12-22;1-21(2)18-10-9-14-11-16(8-7-15(14)12-18)19-6-4-3-5-17(19)13-20;1-3-13-21(14-4-2)18-11-9-16(10-12-18)19-8-6-5-7-17(19)15-20;1-20-10-12-21(13-11-20)17-8-6-15(7-9-17)18-5-3-2-4-16(18)14-19;19-14-16-6-2-3-7-18(16)15-8-10-17(11-9-15)20-12-4-1-5-13-20;18-13-15-3-1-2-4-17(15)14-5-7-16(8-6-14)19-9-11-20-12-10-19;1-3-19(4-2)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-18/h5-14H,3-4H2,1-2H3;1-8,21H,9-14H2;3-12H,1-2H3;5-12H,3-4,13-14H2,1-2H3;2-9H,10-13H2,1H3;2-3,6-11H,1,4-5,12-13H2;1-8H,9-12H2;5-12H,3-4H2,1-2H3.
What are the key properties of 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile?
2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile has a molecular weight of 2212.95 g/mol, XLogP of 31.82, 27 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylamino)naphthalen-2-yl]benzonitrile;2-[4-(diethylamino)phenyl]benzonitrile;2-[6-(dimethylamino)naphthalen-2-yl]benzonitrile;2-[4-(dipropylamino)phenyl]benzonitrile;2-[4-(4-methylpiperazin-1-yl)phenyl]benzonitrile;2-[4-(2-morpholin-4-ylethylamino)phenyl]benzonitrile;2-(4-morpholin-4-ylphenyl)benzonitrile;2-(4-piperidin-1-ylphenyl)benzonitrile is sourced from PubChem (CID 159726231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).