N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate

C109H110Cl6F12Mo4N14O16P2 — CID 139128978

IUPACN,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate
SMILESCOc1ccc(/N=C([O-])\C([O-])=N/c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mo+2].[Mo+2].[Mo+3].[Mo+3]
InChIInChI=1S/C16H16N2O4.6C15H15N2O2.3CH2Cl2.2F6P.4Mo/c1-21-13-7-3-11(4-8-13)17-15(19)16(20)18-12-5-9-14(22-2)10-6-12;6*1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;3*2-1-3;2*1-7(2,3,4,5)6;;;;/h3-10H,1-2H3,(H,17,19)(H,18,20);6*3-11H,1-2H3;3*1H2;;;;;;/q;6*-1;;;;2*-1;2*+2;2*+3/p-2
InChIKeyAULHYDUFIISFAT-UHFFFAOYSA-L
MW2758.56 g/mol
LogP36.62
Rot. Bonds34

About N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate

N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate (PubChem CID 139128978) has the molecular formula C109H110Cl6F12Mo4N14O16P2 and a molecular weight of 2758.56 g/mol. Its IUPAC name is N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate.

Molecular Properties

Compound NameN,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate
PubChem CID139128978
Molecular FormulaC109H110Cl6F12Mo4N14O16P2
Molecular Weight2758.56 g/mol
Exact Mass2762.19
IUPAC NameN,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate
SMILESCOc1ccc(/N=C([O-])\C([O-])=N/c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mo+2].[Mo+2].[Mo+3].[Mo+3]
InChIInChI=1S/C16H16N2O4.6C15H15N2O2.3CH2Cl2.2F6P.4Mo/c1-21-13-7-3-11(4-8-13)17-15(19)16(20)18-12-5-9-14(22-2)10-6-12;6*1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;3*2-1-3;2*1-7(2,3,4,5)6;;;;/h3-10H,1-2H3,(H,17,19)(H,18,20);6*3-11H,1-2H3;3*1H2;;;;;;/q;6*-1;;;;2*-1;2*+2;2*+3/p-2
InChIKeyAULHYDUFIISFAT-UHFFFAOYSA-L
XLogP36.62
TPSA358.82 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002758.56
LogP ≤ 536.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate with MolForge

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Related Compounds

bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate
CID 139150536
tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))
CID 11105141
cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)
CID 50910504
2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
CID 584090
1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
2-(4-methoxyphenyl)iminoacetate
CID 22600240
(E)-N-(4-methoxyphenyl)pent-3-en-2-imine
CID 134838595
N-(4-methoxyphenyl)butan-2-imine
CID 15683591
2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
CID 86064407
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
N'-(4-methoxyphenyl)propanimidamide
CID 63174454

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate?
The IUPAC name of N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate (CID 139128978) is N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate.
What is the SMILES notation for N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate?
The canonical SMILES for N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate is COc1ccc(/N=C([O-])\C([O-])=N/c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/[N-]c2ccc(OC)cc2)cc1.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mo+2].[Mo+2].[Mo+3].[Mo+3].
What is the InChIKey of N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate?
The InChIKey is AULHYDUFIISFAT-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H16N2O4.6C15H15N2O2.3CH2Cl2.2F6P.4Mo/c1-21-13-7-3-11(4-8-13)17-15(19)16(20)18-12-5-9-14(22-2)10-6-12;6*1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;3*2-1-3;2*1-7(2,3,4,5)6;;;;/h3-10H,1-2H3,(H,17,19)(H,18,20);6*3-11H,1-2H3;3*1H2;;;;;;/q;6*-1;;;;2*-1;2*+2;2*+3/p-2.
What are the key properties of N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate?
N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate has a molecular weight of 2758.56 g/mol, XLogP of 36.62, 34 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate is sourced from PubChem (CID 139128978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).