3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate

C62H50F6MnN2O2P- — CID 135437264

IUPAC3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
SMILESC[C@@H]1CC[C@@H](C)[C@@H](/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2O)[C@@H]1/N=C/c1cc2ccccc2c(-c2c(-c3ccccc3)ccc3ccccc23)c1O.F[P-](F)(F)(F)(F)F.[Mn]
InChIInChI=1S/C62H50N2O2.F6P.Mn/c1-39-29-30-40(2)60(64-38-48-36-46-24-12-16-28-52(46)58(62(48)66)56-50-26-14-10-22-44(50)32-34-54(56)42-19-7-4-8-20-42)59(39)63-37-47-35-45-23-11-15-27-51(45)57(61(47)65)55-49-25-13-9-21-43(49)31-33-53(55)41-17-5-3-6-18-41;1-7(2,3,4,5)6;/h3-28,31-40,59-60,65-66H,29-30H2,1-2H3;;/q;-1;/b63-37+,64-38+;;/t39-,40-,59-,60-;;/m1../s1
InChIKeyRVRIBNBIIWJSKM-TXQZSHINSA-N
MW1054.99 g/mol
LogP19.10
Rot. Bonds8

About 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate

3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate (PubChem CID 135437264) has the molecular formula C62H50F6MnN2O2P- and a molecular weight of 1054.99 g/mol. Its IUPAC name is 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate.

Molecular Properties

Compound Name3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
PubChem CID135437264
Molecular FormulaC62H50F6MnN2O2P-
Molecular Weight1054.99 g/mol
Exact Mass1054.29
IUPAC Name3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
SMILESC[C@@H]1CC[C@@H](C)[C@@H](/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2O)[C@@H]1/N=C/c1cc2ccccc2c(-c2c(-c3ccccc3)ccc3ccccc23)c1O.F[P-](F)(F)(F)(F)F.[Mn]
InChIInChI=1S/C62H50N2O2.F6P.Mn/c1-39-29-30-40(2)60(64-38-48-36-46-24-12-16-28-52(46)58(62(48)66)56-50-26-14-10-22-44(50)32-34-54(56)42-19-7-4-8-20-42)59(39)63-37-47-35-45-23-11-15-27-51(45)57(61(47)65)55-49-25-13-9-21-43(49)31-33-53(55)41-17-5-3-6-18-41;1-7(2,3,4,5)6;/h3-28,31-40,59-60,65-66H,29-30H2,1-2H3;;/q;-1;/b63-37+,64-38+;;/t39-,40-,59-,60-;;/m1../s1
InChIKeyRVRIBNBIIWJSKM-TXQZSHINSA-N
XLogP19.10
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.99
LogP ≤ 519.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate?
The IUPAC name of 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate (CID 135437264) is 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate.
What is the SMILES notation for 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate?
The canonical SMILES for 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate is C[C@@H]1CC[C@@H](C)[C@@H](/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2O)[C@@H]1/N=C/c1cc2ccccc2c(-c2c(-c3ccccc3)ccc3ccccc23)c1O.F[P-](F)(F)(F)(F)F.[Mn].
What is the InChIKey of 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate?
The InChIKey is RVRIBNBIIWJSKM-TXQZSHINSA-N. The full InChI is InChI=1S/C62H50N2O2.F6P.Mn/c1-39-29-30-40(2)60(64-38-48-36-46-24-12-16-28-52(46)58(62(48)66)56-50-26-14-10-22-44(50)32-34-54(56)42-19-7-4-8-20-42)59(39)63-37-47-35-45-23-11-15-27-51(45)57(61(47)65)55-49-25-13-9-21-43(49)31-33-53(55)41-17-5-3-6-18-41;1-7(2,3,4,5)6;/h3-28,31-40,59-60,65-66H,29-30H2,1-2H3;;/q;-1;/b63-37+,64-38+;;/t39-,40-,59-,60-;;/m1../s1.
What are the key properties of 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate?
3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate has a molecular weight of 1054.99 g/mol, XLogP of 19.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate is sourced from PubChem (CID 135437264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).