bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate

C137H139Cl4F12Mo8N18O26P2 — CID 139150536

IUPACbis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate
SMILESCOc1ccc(/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.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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mo+3].[Mo+3].[Mo+3].[Mo+3].[Mo+3].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/9C15H15N2O2.2CH2Cl2.2F6P.8Mo.8O/c9*1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;2*2-1-3;2*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;/h9*3-11H,1-2H3;2*1H2;;;;;;;;;;;;;;;;;;/q9*-1;;;2*-1;5*+3;3*+4;8*-2
InChIKeyZSVALPUIIRJBQW-UHFFFAOYSA-N
MW3652.97 g/mol
LogP45.26
Rot. Bonds45

About bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate

bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate (PubChem CID 139150536) has the molecular formula C137H139Cl4F12Mo8N18O26P2 and a molecular weight of 3652.97 g/mol. Its IUPAC name is bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate.

Molecular Properties

Compound Namebis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate
PubChem CID139150536
Molecular FormulaC137H139Cl4F12Mo8N18O26P2
Molecular Weight3652.97 g/mol
Exact Mass3665.06
IUPAC Namebis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate
SMILESCOc1ccc(/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.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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mo+3].[Mo+3].[Mo+3].[Mo+3].[Mo+3].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/9C15H15N2O2.2CH2Cl2.2F6P.8Mo.8O/c9*1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;2*2-1-3;2*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;/h9*3-11H,1-2H3;2*1H2;;;;;;;;;;;;;;;;;;/q9*-1;;;2*-1;5*+3;3*+4;8*-2
InChIKeyZSVALPUIIRJBQW-UHFFFAOYSA-N
XLogP45.26
TPSA632.28 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds45
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003652.97
LogP ≤ 545.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

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'}

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Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate?
The IUPAC name of bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate (CID 139150536) is bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate.
What is the SMILES notation for bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate?
The canonical SMILES for bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate is 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.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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Mo+3].[Mo+3].[Mo+3].[Mo+3].[Mo+3].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate?
The InChIKey is ZSVALPUIIRJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/9C15H15N2O2.2CH2Cl2.2F6P.8Mo.8O/c9*1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;2*2-1-3;2*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;/h9*3-11H,1-2H3;2*1H2;;;;;;;;;;;;;;;;;;/q9*-1;;;2*-1;5*+3;3*+4;8*-2.
What are the key properties of bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate?
bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate has a molecular weight of 3652.97 g/mol, XLogP of 45.26, 45 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate is sourced from PubChem (CID 139150536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).