bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride

C58H46Cl2P2Ti2-2 — CID 21096461

About bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride

bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride (PubChem CID 21096461) has the molecular formula C58H46Cl2P2Ti2-2 and a molecular weight of 971.59 g/mol. Its IUPAC name is bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride.

Molecular Properties

• Compound Name: bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride
• PubChem CID: 21096461
• Molecular Formula: C58H46Cl2P2Ti2-2
• Molecular Weight: 971.59 g/mol
• Exact Mass: 970.14
• IUPAC Name: bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride
• SMILES: Cc1ccccc1Pc1cc2ccccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2].[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
• InChI: InChI=1S/2C16H14P.2C13H9.2ClH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*2-11,17H,1H3;2*1-5,7-8H,9H2;2*1H;;/q4*-1;;;2*+2/p-2
• InChIKey: KPNYHCBAYSRHRI-UHFFFAOYSA-L
• XLogP: 7.11
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.59
LogP ≤ 5	7.11
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(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride?

The IUPAC name of bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride (CID 21096461) is bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride.

What is the SMILES notation for bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride?

The canonical SMILES for bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride is Cc1ccccc1Pc1cc2ccccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2].[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.

What is the InChIKey of bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride?

The InChIKey is KPNYHCBAYSRHRI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H14P.2C13H9.2ClH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*2-11,17H,1H3;2*1-5,7-8H,9H2;2*1H;;/q4*-1;;;2*+2/p-2.

What are the key properties of bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride?

bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride has a molecular weight of 971.59 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride is sourced from PubChem (CID 21096461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).