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;oxovanadium;perchlorate

C60H46ClN2O7V- — CID 135481098

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;oxovanadium;perchlorate

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;oxovanadium;perchlorate (PubChem CID 135481098) has the molecular formula C60H46ClN2O7V- and a molecular weight of 993.43 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;oxovanadium;perchlorate.

Molecular Properties

• Compound Name: 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;oxovanadium;perchlorate
• PubChem CID: 135481098
• Molecular Formula: C60H46ClN2O7V-
• Molecular Weight: 993.43 g/mol
• Exact Mass: 992.24
• IUPAC Name: 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;oxovanadium;perchlorate
• SMILES: O=[V].Oc1c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2O)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/C60H46N2O2.ClHO4.O.V/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;2-1(3,4)5;;/h1-14,17-28,31-38,53-54,63-64H,15-16,29-30H2;(H,2,3,4,5);;/p-1/b61-37+,62-38+;;;/t53-,54-;;;/m0.../s1
• InChIKey: QWZLBGLHNFALGD-JICRZSBRSA-M
• XLogP: 10.35
• TPSA: 174.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	993.43
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

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;oxovanadium;perchlorate?

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;oxovanadium;perchlorate (CID 135481098) 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;oxovanadium;perchlorate.

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;oxovanadium;perchlorate?

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;oxovanadium;perchlorate is O=[V].Oc1c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2O)cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[O-][Cl+3]([O-])([O-])[O-].

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;oxovanadium;perchlorate?

The InChIKey is QWZLBGLHNFALGD-JICRZSBRSA-M. The full InChI is InChI=1S/C60H46N2O2.ClHO4.O.V/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;2-1(3,4)5;;/h1-14,17-28,31-38,53-54,63-64H,15-16,29-30H2;(H,2,3,4,5);;/p-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;oxovanadium;perchlorate?

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;oxovanadium;perchlorate has a molecular weight of 993.43 g/mol, XLogP of 10.35, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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;oxovanadium;perchlorate is sourced from PubChem (CID 135481098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).