[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium

C30H28NTi- — CID 87586888

About [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium

[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium (PubChem CID 87586888) has the molecular formula C30H28NTi- and a molecular weight of 450.43 g/mol. Its IUPAC name is [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium.

Molecular Properties

• Compound Name: [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium
• PubChem CID: 87586888
• Molecular Formula: C30H28NTi-
• Molecular Weight: 450.43 g/mol
• Exact Mass: 450.17
• IUPAC Name: [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium
• SMILES: CC1=Cc2ccccc2C1c1ccc2ccccc2c1C[N-]c1c(C)cc(C)cc1C.[Ti]
• InChI: InChI=1S/C30H28N.Ti/c1-19-15-21(3)30(22(4)16-19)31-18-28-25-11-7-5-9-23(25)13-14-27(28)29-20(2)17-24-10-6-8-12-26(24)29;/h5-17,29H,18H2,1-4H3;/q-1
• InChIKey: ICNSSBNDYXGNLP-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 14.10 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.43
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium?

The IUPAC name of [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium (CID 87586888) is [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium.

What is the SMILES notation for [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium?

The canonical SMILES for [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium is CC1=Cc2ccccc2C1c1ccc2ccccc2c1C[N-]c1c(C)cc(C)cc1C.[Ti].

What is the InChIKey of [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium?

The InChIKey is ICNSSBNDYXGNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N.Ti/c1-19-15-21(3)30(22(4)16-19)31-18-28-25-11-7-5-9-23(25)13-14-27(28)29-20(2)17-24-10-6-8-12-26(24)29;/h5-17,29H,18H2,1-4H3;/q-1;.

What are the key properties of [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium?

[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium has a molecular weight of 450.43 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium is sourced from PubChem (CID 87586888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).