(E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile

C140H94N30O2S2 — CID 159859950

IUPAC(E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile
SMILESCc1ccc(/C=N/C(C#N)=C(C#N)/N=C/c2ccc(C)o2)o1.N#CC(/N=C/c1cc2ccccc2[nH]1)=C(C#N)\N=C\c1cc2ccccc2[nH]1.N#CC(/N=C/c1ccc(-c2ccccc2)cc1)=C(C#N)\N=C\c1ccc(-c2ccccc2)cc1.N#CC(/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C(C#N)\N=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1.N#CC(/N=C/c1cccs1)=C(C#N)\N=C\c1cccs1.N#CC(/N=C/c1ccncc1)=C(C#N)\N=C\c1ccncc1
InChIInChI=1S/C42H30N6.C30H20N4.C22H14N6.C16H10N6.C16H12N4O2.C14H8N4S2/c43-29-41(45-31-33-21-25-39(26-22-33)47(35-13-5-1-6-14-35)36-15-7-2-8-16-36)42(30-44)46-32-34-23-27-40(28-24-34)48(37-17-9-3-10-18-37)38-19-11-4-12-20-38;31-19-29(33-21-23-11-15-27(16-12-23)25-7-3-1-4-8-25)30(20-32)34-22-24-13-17-28(18-14-24)26-9-5-2-6-10-26;23-11-21(25-13-17-9-15-5-1-3-7-19(15)27-17)22(12-24)26-14-18-10-16-6-2-4-8-20(16)28-18;17-9-15(21-11-13-1-5-19-6-2-13)16(10-18)22-12-14-3-7-20-8-4-14;1-11-3-5-13(21-11)9-19-15(7-17)16(8-18)20-10-14-6-4-12(2)22-14;15-7-13(17-9-11-3-1-5-19-11)14(8-16)18-10-12-4-2-6-20-12/h1-28,31-32H;1-18,21-22H;1-10,13-14,27-28H;1-8,11-12H;3-6,9-10H,1-2H3;1-6,9-10H/b42-41+,45-31+,46-32+;30-29+,33-21+,34-22+;22-21+,25-13+,26-14+;16-15+,21-11+,22-12+;16-15+,19-9+,20-10+;14-13+,17-9+,18-10+
InChIKeyNRADFZSKRAYKTR-XCEUBUHHSA-N
MW2292.63 g/mol
LogP30.85
Rot. Bonds32

About (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile

(E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile (PubChem CID 159859950) has the molecular formula C140H94N30O2S2 and a molecular weight of 2292.63 g/mol. Its IUPAC name is (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile.

Molecular Properties

Compound Name(E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile
PubChem CID159859950
Molecular FormulaC140H94N30O2S2
Molecular Weight2292.63 g/mol
Exact Mass2290.76
IUPAC Name(E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile
SMILESCc1ccc(/C=N/C(C#N)=C(C#N)/N=C/c2ccc(C)o2)o1.N#CC(/N=C/c1cc2ccccc2[nH]1)=C(C#N)\N=C\c1cc2ccccc2[nH]1.N#CC(/N=C/c1ccc(-c2ccccc2)cc1)=C(C#N)\N=C\c1ccc(-c2ccccc2)cc1.N#CC(/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C(C#N)\N=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1.N#CC(/N=C/c1cccs1)=C(C#N)\N=C\c1cccs1.N#CC(/N=C/c1ccncc1)=C(C#N)\N=C\c1ccncc1
InChIInChI=1S/C42H30N6.C30H20N4.C22H14N6.C16H10N6.C16H12N4O2.C14H8N4S2/c43-29-41(45-31-33-21-25-39(26-22-33)47(35-13-5-1-6-14-35)36-15-7-2-8-16-36)42(30-44)46-32-34-23-27-40(28-24-34)48(37-17-9-3-10-18-37)38-19-11-4-12-20-38;31-19-29(33-21-23-11-15-27(16-12-23)25-7-3-1-4-8-25)30(20-32)34-22-24-13-17-28(18-14-24)26-9-5-2-6-10-26;23-11-21(25-13-17-9-15-5-1-3-7-19(15)27-17)22(12-24)26-14-18-10-16-6-2-4-8-20(16)28-18;17-9-15(21-11-13-1-5-19-6-2-13)16(10-18)22-12-14-3-7-20-8-4-14;1-11-3-5-13(21-11)9-19-15(7-17)16(8-18)20-10-14-6-4-12(2)22-14;15-7-13(17-9-11-3-1-5-19-11)14(8-16)18-10-12-4-2-6-20-12/h1-28,31-32H;1-18,21-22H;1-10,13-14,27-28H;1-8,11-12H;3-6,9-10H,1-2H3;1-6,9-10H/b42-41+,45-31+,46-32+;30-29+,33-21+,34-22+;22-21+,25-13+,26-14+;16-15+,21-11+,22-12+;16-15+,19-9+,20-10+;14-13+,17-9+,18-10+
InChIKeyNRADFZSKRAYKTR-XCEUBUHHSA-N
XLogP30.85
TPSA523.92 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002292.63
LogP ≤ 530.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile with MolForge

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Related Compounds

acetonitrile;bromomethane;butan-2-one;pentadecakis(tert-butylbenzene);bis(3,3-dimethylbutylbenzene);3,3-dimethylbut-1-ynylbenzene;[(E)-5,5-dimethylhex-3-enyl]benzene;pentakis(2,2-dimethylpropane);ethane;fluoromethane;furan;methane;methoxymethane;1-methylindole;propane;propan-2-one;prop-1-ene;pyridine;1H-pyrrole;thiophene;toluene;1,1,1-trifluoroethane
CID 157481177
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
5-[8-(1-Benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran
CID 123292338
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
9-(4-Thiophen-2-ylphenyl)-6-[5-[9-(4-thiophen-2-ylphenyl)pyrido[3,4-b]indol-6-yl]furan-2-yl]pyrido[3,4-b]indole
CID 124192632
1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline
CID 140981088
9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine
CID 144548905
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
1-benzofuran;1-benzothiophene;5,6-dihydro-4H-1,3-thiazine;1,4-dioxane;1,4-dithiane;ethane;1H-indole;indolizine;thiomorpholine
CID 157124936

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile?
The IUPAC name of (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile (CID 159859950) is (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile.
What is the SMILES notation for (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile?
The canonical SMILES for (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile is Cc1ccc(/C=N/C(C#N)=C(C#N)/N=C/c2ccc(C)o2)o1.N#CC(/N=C/c1cc2ccccc2[nH]1)=C(C#N)\N=C\c1cc2ccccc2[nH]1.N#CC(/N=C/c1ccc(-c2ccccc2)cc1)=C(C#N)\N=C\c1ccc(-c2ccccc2)cc1.N#CC(/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C(C#N)\N=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1.N#CC(/N=C/c1cccs1)=C(C#N)\N=C\c1cccs1.N#CC(/N=C/c1ccncc1)=C(C#N)\N=C\c1ccncc1.
What is the InChIKey of (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile?
The InChIKey is NRADFZSKRAYKTR-XCEUBUHHSA-N. The full InChI is InChI=1S/C42H30N6.C30H20N4.C22H14N6.C16H10N6.C16H12N4O2.C14H8N4S2/c43-29-41(45-31-33-21-25-39(26-22-33)47(35-13-5-1-6-14-35)36-15-7-2-8-16-36)42(30-44)46-32-34-23-27-40(28-24-34)48(37-17-9-3-10-18-37)38-19-11-4-12-20-38;31-19-29(33-21-23-11-15-27(16-12-23)25-7-3-1-4-8-25)30(20-32)34-22-24-13-17-28(18-14-24)26-9-5-2-6-10-26;23-11-21(25-13-17-9-15-5-1-3-7-19(15)27-17)22(12-24)26-14-18-10-16-6-2-4-8-20(16)28-18;17-9-15(21-11-13-1-5-19-6-2-13)16(10-18)22-12-14-3-7-20-8-4-14;1-11-3-5-13(21-11)9-19-15(7-17)16(8-18)20-10-14-6-4-12(2)22-14;15-7-13(17-9-11-3-1-5-19-11)14(8-16)18-10-12-4-2-6-20-12/h1-28,31-32H;1-18,21-22H;1-10,13-14,27-28H;1-8,11-12H;3-6,9-10H,1-2H3;1-6,9-10H/b42-41+,45-31+,46-32+;30-29+,33-21+,34-22+;22-21+,25-13+,26-14+;16-15+,21-11+,22-12+;16-15+,19-9+,20-10+;14-13+,17-9+,18-10+.
What are the key properties of (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile?
(E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile has a molecular weight of 2292.63 g/mol, XLogP of 30.85, 32 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(1H-indol-2-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis[(5-methylfuran-2-yl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis[[4-(N-phenylanilino)phenyl]methylideneamino]but-2-enedinitrile;(E)-2,3-bis[(4-phenylphenyl)methylideneamino]but-2-enedinitrile;(E)-2,3-bis(pyridin-4-ylmethylideneamino)but-2-enedinitrile;(E)-2,3-bis(thiophen-2-ylmethylideneamino)but-2-enedinitrile is sourced from PubChem (CID 159859950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).