bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline

C115H137N15O4S+6 — CID 172951650

IUPACbis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
SMILESCN(C)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1.COc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.Cc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
InChIInChI=1S/C21H24N2O2.C20H24N3O.C20H24N3.C20H22N2O.C17H21N3.C17H19N2S/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h6-14H,1-5H3;6-14H,1-5H3;6-14H,1-5H3;5-14H,1-4H3;5-12,18H,1-4H3;5-11H,1-4H3/q;2*+1;;;+1/p+3
InChIKeyZAEYLJWDAHDMHP-UHFFFAOYSA-Q
MW1825.53 g/mol
LogP21.79
Rot. Bonds22

About bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline

bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline (PubChem CID 172951650) has the molecular formula C115H137N15O4S+6 and a molecular weight of 1825.53 g/mol. Its IUPAC name is bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline.

Molecular Properties

Compound Namebis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
PubChem CID172951650
Molecular FormulaC115H137N15O4S+6
Molecular Weight1825.53 g/mol
Exact Mass1824.07
IUPAC Namebis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
SMILESCN(C)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1.COc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.Cc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
InChIInChI=1S/C21H24N2O2.C20H24N3O.C20H24N3.C20H22N2O.C17H21N3.C17H19N2S/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h6-14H,1-5H3;6-14H,1-5H3;6-14H,1-5H3;5-14H,1-4H3;5-12,18H,1-4H3;5-11H,1-4H3/q;2*+1;;;+1/p+3
InChIKeyZAEYLJWDAHDMHP-UHFFFAOYSA-Q
XLogP21.79
TPSA143.41 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001825.53
LogP ≤ 521.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline with MolForge

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
CID 174578494
bis(2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline);sulfate
CID 6451709
4-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline
CID 58659961
dihydrogen phosphate;N,4-dimethyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
CID 57358818
2-methyl-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-1,3-benzothiazol-6-amine
CID 6178625
3-[2-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonic acid
CID 152762920
4-[3,3-dimethyl-2-[(E)-[methyl-(4-methylphenyl)hydrazinylidene]methyl]indol-1-ium-1-yl]butan-2-one
CID 20599349
4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N-methyl-N-propylaniline;ethene;N-[N-[5-(4-methoxyphenyl)-2-pyridinyl]-C-(2-methylphenyl)carbonimidoyl]prop-2-enamide
CID 153346814
4-[(E)-2-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 18830136
N-methyl-2-propoxy-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
CID 20599357
N,N-dimethyl-4-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-3-ium-2-yl)aniline
CID 58659886
cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium
CID 172950437

Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline?
The IUPAC name of bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline (CID 172951650) is bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline.
What is the SMILES notation for bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline?
The canonical SMILES for bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline is CN(C)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1.COc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.Cc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C.
What is the InChIKey of bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline?
The InChIKey is ZAEYLJWDAHDMHP-UHFFFAOYSA-Q. The full InChI is InChI=1S/C21H24N2O2.C20H24N3O.C20H24N3.C20H22N2O.C17H21N3.C17H19N2S/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h6-14H,1-5H3;6-14H,1-5H3;6-14H,1-5H3;5-14H,1-4H3;5-12,18H,1-4H3;5-11H,1-4H3/q;2*+1;;;+1/p+3.
What are the key properties of bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline?
bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline has a molecular weight of 1825.53 g/mol, XLogP of 21.79, 22 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)phenyl]methylideneazanium;2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline is sourced from PubChem (CID 172951650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).