bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+))

C120H88N4O6Ti2 — CID 16735960

About bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+))

bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+)) (PubChem CID 16735960) has the molecular formula C120H88N4O6Ti2 and a molecular weight of 1777.78 g/mol. Its IUPAC name is bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+)).

Molecular Properties

• Compound Name: bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+))
• PubChem CID: 16735960
• Molecular Formula: C120H88N4O6Ti2
• Molecular Weight: 1777.78 g/mol
• Exact Mass: 1776.57
• IUPAC Name: bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+))
• SMILES: [O-2].[O-2].[O-]c1c(/C=N\[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2[O-])cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[O-]c1c(/C=N\[C@H]2CCCC[C@@H]2/N=C\c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2[O-])cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[Ti+4].[Ti+4]
• InChI: InChI=1S/2C60H46N2O2.2O.2Ti/c2*63-59-45(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;;;;/h2*1-14,17-28,31-38,53-54,63-64H,15-16,29-30H2;;;;/q;;2*-2;2*+4/p-4/b61-37-,62-38+;61-37-,62-38-;;;;/t2*53-,54-;;;;/m00..../s1
• InChIKey: RVOANIHFOLHMDD-KINCCJHASA-J
• XLogP: 27.68
• TPSA: 198.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1777.78
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+))?

The IUPAC name of bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+)) (CID 16735960) is bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+)).

What is the SMILES notation for bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+))?

The canonical SMILES for bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+)) is [O-2].[O-2].[O-]c1c(/C=N\[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2[O-])cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[O-]c1c(/C=N\[C@H]2CCCC[C@@H]2/N=C\c2cc3ccccc3c(-c3c(-c4ccccc4)ccc4ccccc34)c2[O-])cc2ccccc2c1-c1c(-c2ccccc2)ccc2ccccc12.[Ti+4].[Ti+4].

What is the InChIKey of bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+))?

The InChIKey is RVOANIHFOLHMDD-KINCCJHASA-J. The full InChI is InChI=1S/2C60H46N2O2.2O.2Ti/c2*63-59-45(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;;;;/h2*1-14,17-28,31-38,53-54,63-64H,15-16,29-30H2;;;;/q;;2*-2;2*+4/p-4/b61-37-,62-38+;61-37-,62-38-;;;;/t2*53-,54-;;;;/m00..../s1.

What are the key properties of bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+))?

bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+)) has a molecular weight of 1777.78 g/mol, XLogP of 27.68, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate);bis(oxygen(2-));bis(titanium(4+)) is sourced from PubChem (CID 16735960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).