[7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride

C119H163Cl6N18PS6 — CID 158281395

IUPAC[7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride
SMILESC.C.C.CCCN(C)c1ccc2nc3cc/c(=[N+](\C)CCC)cc-3sc2c1.CCN(C)c1ccc2nc3cc/c(=[N+](/C)CC)cc-3sc2c1.CCN(CC)c1cc(C)c2nc3c(C)cc(=[N+](CC)CC)cc-3sc2c1.CCc1cc(=[N+](C)C)cc2sc3cc(N(C)C)cc(CC)c3nc1-2.CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.Cc1cc(=[N+](C)C)cc2sc3cc(N(C)C)cc(C)c3nc1-2.[3H]P(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C22H30N3S.2C20H26N3S.2C18H22N3S.C16H18N3S.C2H7P.3CH4.6ClH/c1-7-24(8-2)17-11-15(5)21-19(13-17)26-20-14-18(25(9-3)10-4)12-16(6)22(20)23-21;1-7-13-9-15(22(3)4)11-17-19(13)21-20-14(8-2)10-16(23(5)6)12-18(20)24-17;1-5-11-22(3)15-7-9-17-19(13-15)24-20-14-16(23(4)12-6-2)8-10-18(20)21-17;1-11-7-13(20(3)4)9-15-17(11)19-18-12(2)8-14(21(5)6)10-16(18)22-15;1-5-20(3)13-7-9-15-17(11-13)22-18-12-14(21(4)6-2)8-10-16(18)19-15;1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-3-2;;;;;;;;;/h11-14H,7-10H2,1-6H3;9-12H,7-8H2,1-6H3;7-10,13-14H,5-6,11-12H2,1-4H3;7-10H,1-6H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;3H,1-2H3;3*1H4;6*1H/q6*+1;;;;;;;;;;/p-6/i;;;;;;3T;;;;;;;;;
InChIKeyMJTLMNFMSRXJRE-SBSNCSJYSA-H
MW2283.84 g/mol
LogP6.11
Rot. Bonds18

About [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride

[7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride (PubChem CID 158281395) has the molecular formula C119H163Cl6N18PS6 and a molecular weight of 2283.84 g/mol. Its IUPAC name is [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride.

Molecular Properties

Compound Name[7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride
PubChem CID158281395
Molecular FormulaC119H163Cl6N18PS6
Molecular Weight2283.84 g/mol
Exact Mass2278.96
IUPAC Name[7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride
SMILESC.C.C.CCCN(C)c1ccc2nc3cc/c(=[N+](\C)CCC)cc-3sc2c1.CCN(C)c1ccc2nc3cc/c(=[N+](/C)CC)cc-3sc2c1.CCN(CC)c1cc(C)c2nc3c(C)cc(=[N+](CC)CC)cc-3sc2c1.CCc1cc(=[N+](C)C)cc2sc3cc(N(C)C)cc(CC)c3nc1-2.CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.Cc1cc(=[N+](C)C)cc2sc3cc(N(C)C)cc(C)c3nc1-2.[3H]P(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C22H30N3S.2C20H26N3S.2C18H22N3S.C16H18N3S.C2H7P.3CH4.6ClH/c1-7-24(8-2)17-11-15(5)21-19(13-17)26-20-14-18(25(9-3)10-4)12-16(6)22(20)23-21;1-7-13-9-15(22(3)4)11-17-19(13)21-20-14(8-2)10-16(23(5)6)12-18(20)24-17;1-5-11-22(3)15-7-9-17-19(13-15)24-20-14-16(23(4)12-6-2)8-10-18(20)21-17;1-11-7-13(20(3)4)9-15-17(11)19-18-12(2)8-14(21(5)6)10-16(18)22-15;1-5-20(3)13-7-9-15-17(11-13)22-18-12-14(21(4)6-2)8-10-16(18)19-15;1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-3-2;;;;;;;;;/h11-14H,7-10H2,1-6H3;9-12H,7-8H2,1-6H3;7-10,13-14H,5-6,11-12H2,1-4H3;7-10H,1-6H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;3H,1-2H3;3*1H4;6*1H/q6*+1;;;;;;;;;;/p-6/i;;;;;;3T;;;;;;;;;
InChIKeyMJTLMNFMSRXJRE-SBSNCSJYSA-H
XLogP6.11
TPSA114.84 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002283.84
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride 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

[7-[di((113C)methyl)amino]-1,9-dimethylphenothiazin-3-ylidene]-di((113C)methyl)azanium;[7-[di((113C)methyl)amino]phenothiazin-3-ylidene]-di((113C)methyl)azanium;methane;2-tritio(213C)prop-1-ene;dichloride
CID 159118254
ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium
CID 59459696
[7-(diethylamino)phenothiazin-3-ylidene]-diethylazanium chloride
CID 24782964
[7-(diethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride
CID 2753311
carbanide;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;bis(2-ethyl-4-N,4-N-dimethylbenzene-1,4-diamine)
CID 158385240
[7-[2-azaniumylethyl(methyl)amino]phenothiazin-3-ylidene]-dimethylazanium
CID 101465375
[7-[bis(2-methoxyethyl)amino]-1,9-diethylphenothiazin-3-ylidene]-bis(2-methoxyethyl)azanium
CID 88965883
[7-(dipentylamino)phenothiazin-3-ylidene]-dipentylazanium bromide
CID 66563440
[7-[tert-butyl(methyl)amino]phenothiazin-3-ylidene]-dimethylazanium
CID 171469979
[7-[bis[3-(diethylamino)propyl]amino]phenothiazin-3-ylidene]-bis[3-(diethylamino)propyl]azanium bromide
CID 46893107
[7-[bis(2-methoxyethyl)amino]-9-methylphenothiazin-3-ylidene]-bis(2-methoxyethyl)azanium bromide
CID 86674119
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride
CID 159676609

Frequently Asked Questions

What is the IUPAC name of [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride?
The IUPAC name of [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride (CID 158281395) is [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride.
What is the SMILES notation for [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride?
The canonical SMILES for [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride is C.C.C.CCCN(C)c1ccc2nc3cc/c(=[N+](\C)CCC)cc-3sc2c1.CCN(C)c1ccc2nc3cc/c(=[N+](/C)CC)cc-3sc2c1.CCN(CC)c1cc(C)c2nc3c(C)cc(=[N+](CC)CC)cc-3sc2c1.CCc1cc(=[N+](C)C)cc2sc3cc(N(C)C)cc(CC)c3nc1-2.CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.Cc1cc(=[N+](C)C)cc2sc3cc(N(C)C)cc(C)c3nc1-2.[3H]P(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride?
The InChIKey is MJTLMNFMSRXJRE-SBSNCSJYSA-H. The full InChI is InChI=1S/C22H30N3S.2C20H26N3S.2C18H22N3S.C16H18N3S.C2H7P.3CH4.6ClH/c1-7-24(8-2)17-11-15(5)21-19(13-17)26-20-14-18(25(9-3)10-4)12-16(6)22(20)23-21;1-7-13-9-15(22(3)4)11-17-19(13)21-20-14(8-2)10-16(23(5)6)12-18(20)24-17;1-5-11-22(3)15-7-9-17-19(13-15)24-20-14-16(23(4)12-6-2)8-10-18(20)21-17;1-11-7-13(20(3)4)9-15-17(11)19-18-12(2)8-14(21(5)6)10-16(18)22-15;1-5-20(3)13-7-9-15-17(11-13)22-18-12-14(21(4)6-2)8-10-16(18)19-15;1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-3-2;;;;;;;;;/h11-14H,7-10H2,1-6H3;9-12H,7-8H2,1-6H3;7-10,13-14H,5-6,11-12H2,1-4H3;7-10H,1-6H3;7-12H,5-6H2,1-4H3;5-10H,1-4H3;3H,1-2H3;3*1H4;6*1H/q6*+1;;;;;;;;;;/p-6/i;;;;;;3T;;;;;;;;;.
What are the key properties of [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride?
[7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride has a molecular weight of 2283.84 g/mol, XLogP of 6.11, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethylamino)-1,9-dimethylphenothiazin-3-ylidene]-diethylazanium;[7-(dimethylamino)-1,9-diethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl(tritio)phosphane;ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium;methane;methyl-[7-[methyl(propyl)amino]phenothiazin-3-ylidene]-propylazanium;hexachloride is sourced from PubChem (CID 158281395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).