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

C52H42F6MnN2O2P- — CID 135451106

IUPAC3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Oc1c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc3ccccc3c(-c3ccccc3-c3ccccc3)c2O)cc2ccccc2c1-c1ccccc1-c1ccccc1.[Mn]
InChIInChI=1S/C52H42N2O2.F6P.Mn/c55-51-39(31-37-21-7-9-25-43(37)49(51)45-27-13-11-23-41(45)35-17-3-1-4-18-35)33-53-47-29-15-16-30-48(47)54-34-40-32-38-22-8-10-26-44(38)50(52(40)56)46-28-14-12-24-42(46)36-19-5-2-6-20-36;1-7(2,3,4,5)6;/h1-14,17-28,31-34,47-48,55-56H,15-16,29-30H2;;/q;-1;/b53-33+,54-34+;;/t47-,48-;;/m1../s1
InChIKeyCXIPTWZBOVUANZ-MNBJABAYSA-N
MW926.82 g/mol
LogP16.30
Rot. Bonds8

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

3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate (PubChem CID 135451106) has the molecular formula C52H42F6MnN2O2P- and a molecular weight of 926.82 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate.

Molecular Properties

Compound Name3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate
PubChem CID135451106
Molecular FormulaC52H42F6MnN2O2P-
Molecular Weight926.82 g/mol
Exact Mass926.23
IUPAC Name3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Oc1c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc3ccccc3c(-c3ccccc3-c3ccccc3)c2O)cc2ccccc2c1-c1ccccc1-c1ccccc1.[Mn]
InChIInChI=1S/C52H42N2O2.F6P.Mn/c55-51-39(31-37-21-7-9-25-43(37)49(51)45-27-13-11-23-41(45)35-17-3-1-4-18-35)33-53-47-29-15-16-30-48(47)54-34-40-32-38-22-8-10-26-44(38)50(52(40)56)46-28-14-12-24-42(46)36-19-5-2-6-20-36;1-7(2,3,4,5)6;/h1-14,17-28,31-34,47-48,55-56H,15-16,29-30H2;;/q;-1;/b53-33+,54-34+;;/t47-,48-;;/m1../s1
InChIKeyCXIPTWZBOVUANZ-MNBJABAYSA-N
XLogP16.30
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.82
LogP ≤ 516.30
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-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate?
The IUPAC name of 3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate (CID 135451106) is 3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate.
What is the SMILES notation for 3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate?
The canonical SMILES for 3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)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(-c3ccccc3-c3ccccc3)c2O)cc2ccccc2c1-c1ccccc1-c1ccccc1.[Mn].
What is the InChIKey of 3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate?
The InChIKey is CXIPTWZBOVUANZ-MNBJABAYSA-N. The full InChI is InChI=1S/C52H42N2O2.F6P.Mn/c55-51-39(31-37-21-7-9-25-43(37)49(51)45-27-13-11-23-41(45)35-17-3-1-4-18-35)33-53-47-29-15-16-30-48(47)54-34-40-32-38-22-8-10-26-44(38)50(52(40)56)46-28-14-12-24-42(46)36-19-5-2-6-20-36;1-7(2,3,4,5)6;/h1-14,17-28,31-34,47-48,55-56H,15-16,29-30H2;;/q;-1;/b53-33+,54-34+;;/t47-,48-;;/m1../s1.
What are the key properties of 3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate?
3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate has a molecular weight of 926.82 g/mol, XLogP of 16.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate is sourced from PubChem (CID 135451106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).