carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))

C132H158Cl4I2N12Ti6-9 — CID 158934106

About carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))

carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+)) (PubChem CID 158934106) has the molecular formula C132H158Cl4I2N12Ti6-9 and a molecular weight of 2595.62 g/mol. Its IUPAC name is carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+)).

Molecular Properties

• Compound Name: carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))
• PubChem CID: 158934106
• Molecular Formula: C132H158Cl4I2N12Ti6-9
• Molecular Weight: 2595.62 g/mol
• Exact Mass: 2592.65
• IUPAC Name: carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))
• SMILES: Cc1cc(C)c([N-]C(c2ccccc2)c2ccccn2)c(C)c1.Cc1cc(C)c([N-]C(c2ccccc2)c2ccccn2)c(C)c1.Cc1cc(C)c([N-]Cc2ccccn2)c(C)c1.Cc1cc(C)c([N-]Cc2ccccn2)c(C)c1.Cc1cc(C)c([N-]Cc2ccccn2)c(C)c1.Cc1cc(C)c([N-]Cc2ccccn2)c(C)c1.Cl[Ti]Cl.Cl[Ti]Cl.I[Ti]I.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti+3].[Ti+3]
• InChI: InChI=1S/2C21H21N2.4C15H17N2.3C7H7.9CH3.4ClH.2HI.6Ti/c2*1-15-13-16(2)20(17(3)14-15)23-21(18-9-5-4-6-10-18)19-11-7-8-12-22-19;4*1-11-8-12(2)15(13(3)9-11)17-10-14-6-4-5-7-16-14;3*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;;;;;;/h2*4-14,21H,1-3H3;4*4-9H,10H2,1-3H3;3*2-6H,1H2;9*1H3;6*1H;;;;;;/q18*-1;;;;;;;3*+2;3*+3/p-6
• InChIKey: FPMLEUIQXXTVIL-UHFFFAOYSA-H
• XLogP: 42.63
• TPSA: 161.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2595.62
LogP ≤ 5	42.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))?

The IUPAC name of carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+)) (CID 158934106) is carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+)).

What is the SMILES notation for carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))?

The canonical SMILES for carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+)) is Cc1cc(C)c([N-]C(c2ccccc2)c2ccccn2)c(C)c1.Cc1cc(C)c([N-]C(c2ccccc2)c2ccccn2)c(C)c1.Cc1cc(C)c([N-]Cc2ccccn2)c(C)c1.Cc1cc(C)c([N-]Cc2ccccn2)c(C)c1.Cc1cc(C)c([N-]Cc2ccccn2)c(C)c1.Cc1cc(C)c([N-]Cc2ccccn2)c(C)c1.Cl[Ti]Cl.Cl[Ti]Cl.I[Ti]I.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti+3].[Ti+3].

What is the InChIKey of carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))?

The InChIKey is FPMLEUIQXXTVIL-UHFFFAOYSA-H. The full InChI is InChI=1S/2C21H21N2.4C15H17N2.3C7H7.9CH3.4ClH.2HI.6Ti/c2*1-15-13-16(2)20(17(3)14-15)23-21(18-9-5-4-6-10-18)19-11-7-8-12-22-19;4*1-11-8-12(2)15(13(3)9-11)17-10-14-6-4-5-7-16-14;3*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;;;;;;/h2*4-14,21H,1-3H3;4*4-9H,10H2,1-3H3;3*2-6H,1H2;9*1H3;6*1H;;;;;;/q18*-1;;;;;;;3*+2;3*+3/p-6.

What are the key properties of carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+))?

carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+)) has a molecular weight of 2595.62 g/mol, XLogP of 42.63, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(dichlorotitanium);diiodotitanium;methanidylbenzene;bis([phenyl(pyridin-2-yl)methyl]-(2,4,6-trimethylphenyl)azanide);tetrakis(pyridin-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);tris(titanium(3+)) is sourced from PubChem (CID 158934106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).