[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride

C26H26Cl2NTi — CID 87501338

IUPAC[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
SMILESCC1=C(c2ccc3ccccc3c2C[N-]c2c(C)cc(C)cc2C)CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C26H26N.2ClH.Ti/c1-17-14-19(3)26(20(4)15-17)27-16-25-23-10-6-5-9-21(23)12-13-24(25)22-11-7-8-18(22)2;;;/h5-10,12-15H,11,16H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyWFHVLZVXFSIJFI-UHFFFAOYSA-L
MW471.27 g/mol
LogP1.71
Rot. Bonds4

About [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride

[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride (PubChem CID 87501338) has the molecular formula C26H26Cl2NTi and a molecular weight of 471.27 g/mol. Its IUPAC name is [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride.

Molecular Properties

Compound Name[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
PubChem CID87501338
Molecular FormulaC26H26Cl2NTi
Molecular Weight471.27 g/mol
Exact Mass470.09
IUPAC Name[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
SMILESCC1=C(c2ccc3ccccc3c2C[N-]c2c(C)cc(C)cc2C)CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C26H26N.2ClH.Ti/c1-17-14-19(3)26(20(4)15-17)27-16-25-23-10-6-5-9-21(23)12-13-24(25)22-11-7-8-18(22)2;;;/h5-10,12-15H,11,16H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyWFHVLZVXFSIJFI-UHFFFAOYSA-L
XLogP1.71
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride?
The IUPAC name of [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride (CID 87501338) is [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride.
What is the SMILES notation for [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride?
The canonical SMILES for [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride is CC1=C(c2ccc3ccccc3c2C[N-]c2c(C)cc(C)cc2C)CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride?
The InChIKey is WFHVLZVXFSIJFI-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H26N.2ClH.Ti/c1-17-14-19(3)26(20(4)15-17)27-16-25-23-10-6-5-9-21(23)12-13-24(25)22-11-7-8-18(22)2;;;/h5-10,12-15H,11,16H2,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride?
[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride has a molecular weight of 471.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride is sourced from PubChem (CID 87501338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).