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

C60H46F6MnN2O2P- — CID 135432159

IUPAC3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Oc1c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2O)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[Mn]
InChIInChI=1S/C60H46N2O2.F6P.Mn/c63-59-45(35-43-23-9-13-27-49(43)57(59)55-47-25-11-7-21-41(47)31-33-51(55)39-17-3-1-4-18-39)37-61-53-29-15-16-30-54(53)62-38-46-36-44-24-10-14-28-50(44)58(60(46)64)56-48-26-12-8-22-42(48)32-34-52(56)40-19-5-2-6-20-40;1-7(2,3,4,5)6;/h1-14,17-28,31-38,53-54,63-64H,15-16,29-30H2;;/q;-1;/b61-37+,62-38+;;/t53-,54-;;/m0../s1
InChIKeyKMABPJUMVOTZKR-BZZKHPLXSA-N
MW1026.94 g/mol
LogP18.61
Rot. Bonds8

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

3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate (PubChem CID 135432159) has the molecular formula C60H46F6MnN2O2P- and a molecular weight of 1026.94 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate.

Molecular Properties

Compound Name3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
PubChem CID135432159
Molecular FormulaC60H46F6MnN2O2P-
Molecular Weight1026.94 g/mol
Exact Mass1026.26
IUPAC Name3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Oc1c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2O)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[Mn]
InChIInChI=1S/C60H46N2O2.F6P.Mn/c63-59-45(35-43-23-9-13-27-49(43)57(59)55-47-25-11-7-21-41(47)31-33-51(55)39-17-3-1-4-18-39)37-61-53-29-15-16-30-54(53)62-38-46-36-44-24-10-14-28-50(44)58(60(46)64)56-48-26-12-8-22-42(48)32-34-52(56)40-19-5-2-6-20-40;1-7(2,3,4,5)6;/h1-14,17-28,31-38,53-54,63-64H,15-16,29-30H2;;/q;-1;/b61-37+,62-38+;;/t53-,54-;;/m0../s1
InChIKeyKMABPJUMVOTZKR-BZZKHPLXSA-N
XLogP18.61
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.94
LogP ≤ 518.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate?
The IUPAC name of 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate (CID 135432159) is 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate.
What is the SMILES notation for 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate?
The canonical SMILES for 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate is F[P-](F)(F)(F)(F)F.Oc1c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2O)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[Mn].
What is the InChIKey of 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate?
The InChIKey is KMABPJUMVOTZKR-BZZKHPLXSA-N. The full InChI is InChI=1S/C60H46N2O2.F6P.Mn/c63-59-45(35-43-23-9-13-27-49(43)57(59)55-47-25-11-7-21-41(47)31-33-51(55)39-17-3-1-4-18-39)37-61-53-29-15-16-30-54(53)62-38-46-36-44-24-10-14-28-50(44)58(60(46)64)56-48-26-12-8-22-42(48)32-34-52(56)40-19-5-2-6-20-40;1-7(2,3,4,5)6;/h1-14,17-28,31-38,53-54,63-64H,15-16,29-30H2;;/q;-1;/b61-37+,62-38+;;/t53-,54-;;/m0../s1.
What are the key properties of 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate?
3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate has a molecular weight of 1026.94 g/mol, XLogP of 18.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate is sourced from PubChem (CID 135432159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).