bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride

C50H42F2P2Ti2-2 — CID 21096471

About bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride

bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride (PubChem CID 21096471) has the molecular formula C50H42F2P2Ti2-2 and a molecular weight of 838.56 g/mol. Its IUPAC name is bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride.

Molecular Properties

• Compound Name: bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride
• PubChem CID: 21096471
• Molecular Formula: C50H42F2P2Ti2-2
• Molecular Weight: 838.56 g/mol
• Exact Mass: 838.17
• IUPAC Name: bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride
• SMILES: Cc1ccccc1Pc1cc2ccccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Ti+2].[Ti+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
• InChI: InChI=1S/2C16H14P.2C9H7.2FH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*2-11,17H,1H3;2*1-7H;2*1H;;/q4*-1;;;2*+2/p-2
• InChIKey: NIOVNWWTTYREFU-UHFFFAOYSA-L
• XLogP: 6.11
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.56
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride?

The IUPAC name of bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride (CID 21096471) is bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride.

What is the SMILES notation for bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride?

The canonical SMILES for bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride is Cc1ccccc1Pc1cc2ccccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Ti+2].[Ti+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.

What is the InChIKey of bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride?

The InChIKey is NIOVNWWTTYREFU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H14P.2C9H7.2FH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*2-11,17H,1H3;2*1-7H;2*1H;;/q4*-1;;;2*+2/p-2.

What are the key properties of bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride?

bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride has a molecular weight of 838.56 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride is sourced from PubChem (CID 21096471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).