cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride

C20H15Cl2N3Ti — CID 87863185

IUPACcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-n3nnc4ccccc43)cc2c1
InChIInChI=1S/C15H10N3.C5H5.2ClH.Ti/c1-2-6-12-10-13(9-11(12)5-1)18-15-8-4-3-7-14(15)16-17-18;1-2-4-5-3-1;;;/h1-10H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyGIXBQTZSUGBMFD-UHFFFAOYSA-L
MW416.13 g/mol
LogP-1.40
Rot. Bonds1

About cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride

cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride (PubChem CID 87863185) has the molecular formula C20H15Cl2N3Ti and a molecular weight of 416.13 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride
PubChem CID87863185
Molecular FormulaC20H15Cl2N3Ti
Molecular Weight416.13 g/mol
Exact Mass415.01
IUPAC Namecyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-n3nnc4ccccc43)cc2c1
InChIInChI=1S/C15H10N3.C5H5.2ClH.Ti/c1-2-6-12-10-13(9-11(12)5-1)18-15-8-4-3-7-14(15)16-17-18;1-2-4-5-3-1;;;/h1-10H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyGIXBQTZSUGBMFD-UHFFFAOYSA-L
XLogP-1.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.13
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)benzimidazole;dichloride
CID 87863210
cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride
CID 87862997
cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;2-phenylethylbenzene;zirconium(2+)
CID 87863462
cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphole;titanium(4+);dichloride
CID 87863211
cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2-methylindole;2-phenylethylbenzene;zirconium(2+)
CID 87863397
bis(cyclopenta-1,3-diene);bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(titanium(2+));dichloride
CID 21096297
cyclopenta-1,3-diene;9H-fluoren-9-ide;methylidenezirconium(2+);dichloride
CID 87327978
bis(1-(1H-inden-1-id-2-yl)tetrazole);titanium(4+);dichloride
CID 87862766
bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride
CID 18407437
cyclopenta-1,3-diene;2-iodo-9H-fluoren-9-ide;zirconium(4+);dichloride
CID 87394294
bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride
CID 173106516
aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
CID 22461419

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride (CID 87863185) is cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-n3nnc4ccccc43)cc2c1.
What is the InChIKey of cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride?
The InChIKey is GIXBQTZSUGBMFD-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H10N3.C5H5.2ClH.Ti/c1-2-6-12-10-13(9-11(12)5-1)18-15-8-4-3-7-14(15)16-17-18;1-2-4-5-3-1;;;/h1-10H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride?
cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride has a molecular weight of 416.13 g/mol, XLogP of -1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride is sourced from PubChem (CID 87863185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).