bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)

C186H208N16O30+8 — CID 158367397

IUPACbis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)
SMILESCOC(=O)c1cc2cc(OCc3ccccc3)ccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.C[N+](C)(C)c1ccc(CC(=O)OCn2ccc3ccccc32)cc1.C[N+](C)(C)c1ccc(CC(=O)OCn2ccc3ccccc32)cc1
InChIInChI=1S/2C29H31N2O5.4C22H25N2O4.2C20H23N2O2/c2*1-31(2,3)24-12-10-21(11-13-24)16-28(32)36-20-30-26-15-14-25(35-19-22-8-6-5-7-9-22)17-23(26)18-27(30)29(33)34-4;4*1-24(2,3)18-11-9-16(10-12-18)13-21(25)28-15-23-19-8-6-5-7-17(19)14-20(23)22(26)27-4;2*1-22(2,3)18-10-8-16(9-11-18)14-20(23)24-15-21-13-12-17-6-4-5-7-19(17)21/h2*5-15,17-18H,16,19-20H2,1-4H3;4*5-12,14H,13,15H2,1-4H3;2*4-13H,14-15H2,1-3H3/q8*+1
InChIKeyISSZNWYZCBRAHB-UHFFFAOYSA-N
MW3147.79 g/mol
LogP30.53
Rot. Bonds52

About bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)

bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium) (PubChem CID 158367397) has the molecular formula C186H208N16O30+8 and a molecular weight of 3147.79 g/mol. Its IUPAC name is bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium).

Molecular Properties

Compound Namebis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)
PubChem CID158367397
Molecular FormulaC186H208N16O30+8
Molecular Weight3147.79 g/mol
Exact Mass3145.52
IUPAC Namebis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)
SMILESCOC(=O)c1cc2cc(OCc3ccccc3)ccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.C[N+](C)(C)c1ccc(CC(=O)OCn2ccc3ccccc32)cc1.C[N+](C)(C)c1ccc(CC(=O)OCn2ccc3ccccc32)cc1
InChIInChI=1S/2C29H31N2O5.4C22H25N2O4.2C20H23N2O2/c2*1-31(2,3)24-12-10-21(11-13-24)16-28(32)36-20-30-26-15-14-25(35-19-22-8-6-5-7-9-22)17-23(26)18-27(30)29(33)34-4;4*1-24(2,3)18-11-9-16(10-12-18)13-21(25)28-15-23-19-8-6-5-7-17(19)14-20(23)22(26)27-4;2*1-22(2,3)18-10-8-16(9-11-18)14-20(23)24-15-21-13-12-17-6-4-5-7-19(17)21/h2*5-15,17-18H,16,19-20H2,1-4H3;4*5-12,14H,13,15H2,1-4H3;2*4-13H,14-15H2,1-3H3/q8*+1
InChIKeyISSZNWYZCBRAHB-UHFFFAOYSA-N
XLogP30.53
TPSA426.10 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds52
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003147.79
LogP ≤ 530.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[4-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium
CID 10995751
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
trimethyl-[4-[2-[(5-nitroindol-1-yl)methoxy]-2-oxoethyl]phenyl]azanium
CID 18345314
methane;trimethyl-[4-[2-[(5-nitroindol-1-yl)methoxy]-2-oxoethyl]phenyl]azanium
CID 162086821
trimethyl-[4-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)butoxy]ethyl]phenyl]azanium iodide
CID 10210200
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
trimethyl-[4-[2-[7-(2-methylindol-1-yl)heptoxy]-2-oxoethyl]phenyl]azanium
CID 20762058
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate
CID 177163804

Frequently Asked Questions

What is the IUPAC name of bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)?
The IUPAC name of bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium) (CID 158367397) is bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium).
What is the SMILES notation for bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)?
The canonical SMILES for bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium) is COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.COC(=O)c1cc2ccccc2n1COC(=O)Cc1ccc([N+](C)(C)C)cc1.C[N+](C)(C)c1ccc(CC(=O)OCn2ccc3ccccc32)cc1.C[N+](C)(C)c1ccc(CC(=O)OCn2ccc3ccccc32)cc1.
What is the InChIKey of bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)?
The InChIKey is ISSZNWYZCBRAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31N2O5.4C22H25N2O4.2C20H23N2O2/c2*1-31(2,3)24-12-10-21(11-13-24)16-28(32)36-20-30-26-15-14-25(35-19-22-8-6-5-7-9-22)17-23(26)18-27(30)29(33)34-4;4*1-24(2,3)18-11-9-16(10-12-18)13-21(25)28-15-23-19-8-6-5-7-17(19)14-20(23)22(26)27-4;2*1-22(2,3)18-10-8-16(9-11-18)14-20(23)24-15-21-13-12-17-6-4-5-7-19(17)21/h2*5-15,17-18H,16,19-20H2,1-4H3;4*5-12,14H,13,15H2,1-4H3;2*4-13H,14-15H2,1-3H3/q8*+1.
What are the key properties of bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium)?
bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium) has a molecular weight of 3147.79 g/mol, XLogP of 30.53, 52 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tetrakis([4-[2-[(2-methoxycarbonylindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium);bis([4-[2-[(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)methoxy]-2-oxoethyl]phenyl]-trimethylazanium) is sourced from PubChem (CID 158367397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).