trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium

C36H51N10O3+3 — CID 132568696

IUPACtrimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium
SMILESC[N+](C)(C)CC(=O)N/N=C\c1ccc(N(c2ccc(/C=N\NC(=O)C[N+](C)(C)C)cc2)c2ccc(/C=N\NC(=O)C[N+](C)(C)C)cc2)cc1
InChIInChI=1S/C36H48N10O3/c1-44(2,3)25-34(47)40-37-22-28-10-16-31(17-11-28)43(32-18-12-29(13-19-32)23-38-41-35(48)26-45(4,5)6)33-20-14-30(15-21-33)24-39-42-36(49)27-46(7,8)9/h10-24H,25-27H2,1-9H3/p+3/b37-22-,38-23-,39-24-
InChIKeyVVDMSCPZOAHHNH-MLQMOUMYSA-Q
MW671.87 g/mol
LogP2.63
Rot. Bonds15

About trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium

trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium (PubChem CID 132568696) has the molecular formula C36H51N10O3+3 and a molecular weight of 671.87 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium
PubChem CID132568696
Molecular FormulaC36H51N10O3+3
Molecular Weight671.87 g/mol
Exact Mass671.41
IUPAC Nametrimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium
SMILESC[N+](C)(C)CC(=O)N/N=C\c1ccc(N(c2ccc(/C=N\NC(=O)C[N+](C)(C)C)cc2)c2ccc(/C=N\NC(=O)C[N+](C)(C)C)cc2)cc1
InChIInChI=1S/C36H48N10O3/c1-44(2,3)25-34(47)40-37-22-28-10-16-31(17-11-28)43(32-18-12-29(13-19-32)23-38-41-35(48)26-45(4,5)6)33-20-14-30(15-21-33)24-39-42-36(49)27-46(7,8)9/h10-24H,25-27H2,1-9H3/p+3/b37-22-,38-23-,39-24-
InChIKeyVVDMSCPZOAHHNH-MLQMOUMYSA-Q
XLogP2.63
TPSA127.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.87
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium 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

[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008
[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474227
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422189
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
trimethyl-[2-oxo-2-[(2Z)-2-[(3-sulfophenyl)methylidene]hydrazinyl]ethyl]azanium
CID 5474238
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium (CID 132568696) is trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium is C[N+](C)(C)CC(=O)N/N=C\c1ccc(N(c2ccc(/C=N\NC(=O)C[N+](C)(C)C)cc2)c2ccc(/C=N\NC(=O)C[N+](C)(C)C)cc2)cc1.
What is the InChIKey of trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium?
The InChIKey is VVDMSCPZOAHHNH-MLQMOUMYSA-Q. The full InChI is InChI=1S/C36H48N10O3/c1-44(2,3)25-34(47)40-37-22-28-10-16-31(17-11-28)43(32-18-12-29(13-19-32)23-38-41-35(48)26-45(4,5)6)33-20-14-30(15-21-33)24-39-42-36(49)27-46(7,8)9/h10-24H,25-27H2,1-9H3/p+3/b37-22-,38-23-,39-24-.
What are the key properties of trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium?
trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium has a molecular weight of 671.87 g/mol, XLogP of 2.63, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium is sourced from PubChem (CID 132568696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).