cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+)

C51H64Zr — CID 173135093

About cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+)

cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+) (PubChem CID 173135093) has the molecular formula C51H64Zr and a molecular weight of 768.30 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+).

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+)
• PubChem CID: 173135093
• Molecular Formula: C51H64Zr
• Molecular Weight: 768.30 g/mol
• Exact Mass: 766.41
• IUPAC Name: cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+)
• SMILES: CCCC(Cc1ccccc1)c1cc2c([c-]c1C)Cc1cc(C)c(C(CCC)Cc3ccccc3)cc1-2.CCCCC(=[Zr+2])CCCC.[C-]1=CC=CC1
• InChI: InChI=1S/C37H41.C9H18.C5H5.Zr/c1-5-13-30(21-28-15-9-7-10-16-28)34-24-36-32(19-26(34)3)23-33-20-27(4)35(25-37(33)36)31(14-6-2)22-29-17-11-8-12-18-29;1-3-5-7-9-8-6-4-2;1-2-4-5-3-1;/h7-12,15-19,24-25,30-31H,5-6,13-14,21-23H2,1-4H3;3-8H2,1-2H3;1-3H,4H2;/q-1;;-1;+2
• InChIKey: LZOHAOYXKYFZGN-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 0.00 Ų
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.30
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+)?

The IUPAC name of cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+) (CID 173135093) is cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+).

What is the SMILES notation for cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+)?

The canonical SMILES for cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+) is CCCC(Cc1ccccc1)c1cc2c([c-]c1C)Cc1cc(C)c(C(CCC)Cc3ccccc3)cc1-2.CCCCC(=[Zr+2])CCCC.[C-]1=CC=CC1.

What is the InChIKey of cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+)?

The InChIKey is LZOHAOYXKYFZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41.C9H18.C5H5.Zr/c1-5-13-30(21-28-15-9-7-10-16-28)34-24-36-32(19-26(34)3)23-33-20-27(4)35(25-37(33)36)31(14-6-2)22-29-17-11-8-12-18-29;1-3-5-7-9-8-6-4-2;1-2-4-5-3-1;/h7-12,15-19,24-25,30-31H,5-6,13-14,21-23H2,1-4H3;3-8H2,1-2H3;1-3H,4H2;/q-1;;-1;+2.

What are the key properties of cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+)?

cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+) has a molecular weight of 768.30 g/mol, XLogP of 14.32, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(1-phenylpentan-2-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+) is sourced from PubChem (CID 173135093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).