bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride

C52H74Cl2P2Ti2-2 — CID 21095938

About bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride

bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride (PubChem CID 21095938) has the molecular formula C52H74Cl2P2Ti2-2 and a molecular weight of 927.75 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride.

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride
• PubChem CID: 21095938
• Molecular Formula: C52H74Cl2P2Ti2-2
• Molecular Weight: 927.75 g/mol
• Exact Mass: 926.36
• IUPAC Name: bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride
• SMILES: CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+2].[Ti+2]
• InChI: InChI=1S/2C21H32P.2C5H5.2ClH.2Ti/c2*1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;2*1-2-4-5-3-1;;;;/h2*9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*1-3H,4H2;2*1H;;/q4*-1;;;2*+2/p-2
• InChIKey: AIDRSFVHJSQSSK-UHFFFAOYSA-L
• XLogP: 10.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 22
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.75
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride?

The IUPAC name of bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride (CID 21095938) is bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride.

What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride?

The canonical SMILES for bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride is CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+2].[Ti+2].

What is the InChIKey of bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride?

The InChIKey is AIDRSFVHJSQSSK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H32P.2C5H5.2ClH.2Ti/c2*1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;2*1-2-4-5-3-1;;;;/h2*9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*1-3H,4H2;2*1H;;/q4*-1;;;2*+2/p-2.

What are the key properties of bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride?

bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride has a molecular weight of 927.75 g/mol, XLogP of 10.27, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cyclopenta-1,3-diene);bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride is sourced from PubChem (CID 21095938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).