[(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate

C94H88N8O8 — CID 172961278

IUPAC[(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate
SMILESCC(=O)O/N=C(\Cc1ccccc1)c1cn(C)c2ccc3ccccc3c12.CC(=O)O/N=C(\Cc1ccccc1C)c1cn(C)c2c1ccc1ccccc12.CC(=O)O/N=C(\Cc1ccccc1C)c1cn(C)c2ccc(C)cc12.Cc1ccccc1C/C(=N\OC(=O)Cc1ccccc1)c1cn(C)c2ccccc12
InChIInChI=1S/C26H24N2O2.C24H22N2O2.C23H20N2O2.C21H22N2O2/c1-19-10-6-7-13-21(19)17-24(23-18-28(2)25-15-9-8-14-22(23)25)27-30-26(29)16-20-11-4-3-5-12-20;1-16-8-4-5-10-19(16)14-23(25-28-17(2)27)22-15-26(3)24-20-11-7-6-9-18(20)12-13-21(22)24;1-16(26)27-24-21(14-17-8-4-3-5-9-17)20-15-25(2)22-13-12-18-10-6-7-11-19(18)23(20)22;1-14-9-10-21-18(11-14)19(13-23(21)4)20(22-25-16(3)24)12-17-8-6-5-7-15(17)2/h3-15,18H,16-17H2,1-2H3;4-13,15H,14H2,1-3H3;3-13,15H,14H2,1-2H3;5-11,13H,12H2,1-4H3/b27-24+;25-23+;24-21+;22-20+
InChIKeyXJZOPKIXMWXIOU-HHNLVBNYSA-N
MW1457.79 g/mol
LogP19.52
Rot. Bonds18

About [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate

[(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate (PubChem CID 172961278) has the molecular formula C94H88N8O8 and a molecular weight of 1457.79 g/mol. Its IUPAC name is [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate.

Molecular Properties

Compound Name[(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate
PubChem CID172961278
Molecular FormulaC94H88N8O8
Molecular Weight1457.79 g/mol
Exact Mass1456.67
IUPAC Name[(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate
SMILESCC(=O)O/N=C(\Cc1ccccc1)c1cn(C)c2ccc3ccccc3c12.CC(=O)O/N=C(\Cc1ccccc1C)c1cn(C)c2c1ccc1ccccc12.CC(=O)O/N=C(\Cc1ccccc1C)c1cn(C)c2ccc(C)cc12.Cc1ccccc1C/C(=N\OC(=O)Cc1ccccc1)c1cn(C)c2ccccc12
InChIInChI=1S/C26H24N2O2.C24H22N2O2.C23H20N2O2.C21H22N2O2/c1-19-10-6-7-13-21(19)17-24(23-18-28(2)25-15-9-8-14-22(23)25)27-30-26(29)16-20-11-4-3-5-12-20;1-16-8-4-5-10-19(16)14-23(25-28-17(2)27)22-15-26(3)24-20-11-7-6-9-18(20)12-13-21(22)24;1-16(26)27-24-21(14-17-8-4-3-5-9-17)20-15-25(2)22-13-12-18-10-6-7-11-19(18)23(20)22;1-14-9-10-21-18(11-14)19(13-23(21)4)20(22-25-16(3)24)12-17-8-6-5-7-15(17)2/h3-15,18H,16-17H2,1-2H3;4-13,15H,14H2,1-3H3;3-13,15H,14H2,1-2H3;5-11,13H,12H2,1-4H3/b27-24+;25-23+;24-21+;22-20+
InChIKeyXJZOPKIXMWXIOU-HHNLVBNYSA-N
XLogP19.52
TPSA174.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.79
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate with MolForge

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Related Compounds

[(E)-1-(1-methylindol-3-yl)ethylideneamino] 2-phenylacetate
CID 126609690
[(E)-[1-(1-benzylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] propanoate
CID 126609755
1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937869
[(E)-[2-(2-methylphenyl)-1-[1-(2-nitrophenyl)indol-3-yl]ethylidene]amino] propanoate
CID 126609875
[(E)-[1-[1-(4-acetylphenyl)-2-methylindol-3-yl]-3-(2-methylphenyl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-(4-aminophenyl)indol-3-yl]-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] propanoate
CID 172919631
[(E)-[1-[1-(3-methylcyclohepta-1,2,4,6-tetraen-1-yl)indol-3-yl]-2-(2-methylphenyl)ethylidene]amino] propanoate
CID 126609611
acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
CID 144937830
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
CID 154144865
1,5-dimethylindole-3-carboxamide
CID 119084556
[(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate
CID 126609591
[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
CID 88860851

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate?
The IUPAC name of [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate (CID 172961278) is [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate.
What is the SMILES notation for [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate?
The canonical SMILES for [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate is CC(=O)O/N=C(\Cc1ccccc1)c1cn(C)c2ccc3ccccc3c12.CC(=O)O/N=C(\Cc1ccccc1C)c1cn(C)c2c1ccc1ccccc12.CC(=O)O/N=C(\Cc1ccccc1C)c1cn(C)c2ccc(C)cc12.Cc1ccccc1C/C(=N\OC(=O)Cc1ccccc1)c1cn(C)c2ccccc12.
What is the InChIKey of [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate?
The InChIKey is XJZOPKIXMWXIOU-HHNLVBNYSA-N. The full InChI is InChI=1S/C26H24N2O2.C24H22N2O2.C23H20N2O2.C21H22N2O2/c1-19-10-6-7-13-21(19)17-24(23-18-28(2)25-15-9-8-14-22(23)25)27-30-26(29)16-20-11-4-3-5-12-20;1-16-8-4-5-10-19(16)14-23(25-28-17(2)27)22-15-26(3)24-20-11-7-6-9-18(20)12-13-21(22)24;1-16(26)27-24-21(14-17-8-4-3-5-9-17)20-15-25(2)22-13-12-18-10-6-7-11-19(18)23(20)22;1-14-9-10-21-18(11-14)19(13-23(21)4)20(22-25-16(3)24)12-17-8-6-5-7-15(17)2/h3-15,18H,16-17H2,1-2H3;4-13,15H,14H2,1-3H3;3-13,15H,14H2,1-2H3;5-11,13H,12H2,1-4H3/b27-24+;25-23+;24-21+;22-20+.
What are the key properties of [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate?
[(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate has a molecular weight of 1457.79 g/mol, XLogP of 19.52, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(3-methylbenzo[e]indol-1-yl)-2-phenylethylidene]amino] acetate;[(E)-[1-(1-methylbenzo[g]indol-3-yl)-2-(2-methylphenyl)ethylidene]amino] acetate;[(E)-[1-(1-methylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] 2-phenylacetate is sourced from PubChem (CID 172961278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).