phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride

C28H22Cl2NTi — CID 87500897

IUPACphenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride
SMILESC1=C(c2ccccc2)C(c2ccccc2C[N-]c2ccccc2)c2ccccc21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C28H22N.2ClH.Ti/c1-3-11-21(12-4-1)27-19-22-13-7-9-17-25(22)28(27)26-18-10-8-14-23(26)20-29-24-15-5-2-6-16-24;;;/h1-19,28H,20H2;2*1H;/q-1;;;+3/p-2
InChIKeyYEMSUICRWDZMLT-UHFFFAOYSA-L
MW491.26 g/mol
LogP1.58
Rot. Bonds5

About phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride

phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride (PubChem CID 87500897) has the molecular formula C28H22Cl2NTi and a molecular weight of 491.26 g/mol. Its IUPAC name is phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride.

Molecular Properties

Compound Namephenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride
PubChem CID87500897
Molecular FormulaC28H22Cl2NTi
Molecular Weight491.26 g/mol
Exact Mass490.06
IUPAC Namephenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride
SMILESC1=C(c2ccccc2)C(c2ccccc2C[N-]c2ccccc2)c2ccccc21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C28H22N.2ClH.Ti/c1-3-11-21(12-4-1)27-19-22-13-7-9-17-25(22)28(27)26-18-10-8-14-23(26)20-29-24-15-5-2-6-16-24;;;/h1-19,28H,20H2;2*1H;/q-1;;;+3/p-2
InChIKeyYEMSUICRWDZMLT-UHFFFAOYSA-L
XLogP1.58
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride?
The IUPAC name of phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride (CID 87500897) is phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride.
What is the SMILES notation for phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride?
The canonical SMILES for phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride is C1=C(c2ccccc2)C(c2ccccc2C[N-]c2ccccc2)c2ccccc21.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride?
The InChIKey is YEMSUICRWDZMLT-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H22N.2ClH.Ti/c1-3-11-21(12-4-1)27-19-22-13-7-9-17-25(22)28(27)26-18-10-8-14-23(26)20-29-24-15-5-2-6-16-24;;;/h1-19,28H,20H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride?
phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride has a molecular weight of 491.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride is sourced from PubChem (CID 87500897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).