2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)

C111H116Cl8N4O4Ti4 — CID 160872445

About 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)

2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium) (PubChem CID 160872445) has the molecular formula C111H116Cl8N4O4Ti4 and a molecular weight of 2045.26 g/mol. Its IUPAC name is 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium).

Molecular Properties

• Compound Name: 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)
• PubChem CID: 160872445
• Molecular Formula: C111H116Cl8N4O4Ti4
• Molecular Weight: 2045.26 g/mol
• Exact Mass: 2040.44
• IUPAC Name: 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)
• SMILES: Cc1cc(/C=N/c2ccccc2)c(O)c(-c2cccc3cc4ccccc4cc23)c1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Oc1c(/C=N/c2ccccc2)cc(C2CCCCC2)cc1-c1cccc2ccccc12.Oc1c(/C=N/c2ccccc2)cc(C2CCCCC2)cc1C1CC2CCC1C2.Oc1c(/C=N/c2ccccc2)cc(C2CCCCC2)cc1C1CCCCCCCC1
• InChI: InChI=1S/C29H27NO.C28H21NO.C28H37NO.C26H31NO.8ClH.4Ti/c31-29-24(20-30-25-14-5-2-6-15-25)18-23(21-10-3-1-4-11-21)19-28(29)27-17-9-13-22-12-7-8-16-26(22)27;1-19-14-23(18-29-24-11-3-2-4-12-24)28(30)27(15-19)25-13-7-10-22-16-20-8-5-6-9-21(20)17-26(22)25;30-28-25(21-29-26-17-11-6-12-18-26)19-24(22-13-9-5-10-14-22)20-27(28)23-15-7-3-1-2-4-8-16-23;28-26-22(17-27-23-9-5-2-6-10-23)15-21(19-7-3-1-4-8-19)16-25(26)24-14-18-11-12-20(24)13-18;;;;;;;;;;;;/h2,5-9,12-21,31H,1,3-4,10-11H2;2-18,30H,1H3;6,11-12,17-23,30H,1-5,7-10,13-16H2;2,5-6,9-10,15-20,24,28H,1,3-4,7-8,11-14H2;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/b30-20+;29-18+;29-21+;27-17+
• InChIKey: SEJXESFVENLZPS-QBRRGCESSA-F
• XLogP: 36.44
• TPSA: 130.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2045.26
LogP ≤ 5	36.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)?

The IUPAC name of 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium) (CID 160872445) is 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium).

What is the SMILES notation for 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)?

The canonical SMILES for 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium) is Cc1cc(/C=N/c2ccccc2)c(O)c(-c2cccc3cc4ccccc4cc23)c1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Oc1c(/C=N/c2ccccc2)cc(C2CCCCC2)cc1-c1cccc2ccccc12.Oc1c(/C=N/c2ccccc2)cc(C2CCCCC2)cc1C1CC2CCC1C2.Oc1c(/C=N/c2ccccc2)cc(C2CCCCC2)cc1C1CCCCCCCC1.

What is the InChIKey of 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)?

The InChIKey is SEJXESFVENLZPS-QBRRGCESSA-F. The full InChI is InChI=1S/C29H27NO.C28H21NO.C28H37NO.C26H31NO.8ClH.4Ti/c31-29-24(20-30-25-14-5-2-6-15-25)18-23(21-10-3-1-4-11-21)19-28(29)27-17-9-13-22-12-7-8-16-26(22)27;1-19-14-23(18-29-24-11-3-2-4-12-24)28(30)27(15-19)25-13-7-10-22-16-20-8-5-6-9-21(20)17-26(22)25;30-28-25(21-29-26-17-11-6-12-18-26)19-24(22-13-9-5-10-14-22)20-27(28)23-15-7-3-1-2-4-8-16-23;28-26-22(17-27-23-9-5-2-6-10-23)15-21(19-7-3-1-4-8-19)16-25(26)24-14-18-11-12-20(24)13-18;;;;;;;;;;;;/h2,5-9,12-21,31H,1,3-4,10-11H2;2-18,30H,1H3;6,11-12,17-23,30H,1-5,7-10,13-16H2;2,5-6,9-10,15-20,24,28H,1,3-4,7-8,11-14H2;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/b30-20+;29-18+;29-21+;27-17+;;;;;;;;;;;;.

What are the key properties of 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)?

2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium) has a molecular weight of 2045.26 g/mol, XLogP of 36.44, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium) is sourced from PubChem (CID 160872445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).