bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+))

C93H114Cl6SiZr3 — CID 162275447

About bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+))

bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+)) (PubChem CID 162275447) has the molecular formula C93H114Cl6SiZr3 and a molecular weight of 1746.41 g/mol. Its IUPAC name is bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+)).

Molecular Properties

• Compound Name: bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+))
• PubChem CID: 162275447
• Molecular Formula: C93H114Cl6SiZr3
• Molecular Weight: 1746.41 g/mol
• Exact Mass: 1738.40
• IUPAC Name: bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+))
• SMILES: C1=CC2C3C=CC=CC3C(CCC3C4C=CC=CC4C4C=CC=CC43)C2C=C1.C1=CC2C3C=CC=CC3C(CCC3C4C=CC=CC4C4C=CC=CC43)C2C=C1.C=CCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C31H36Si.2C28H30.6CH3.6ClH.3Zr/c1-3-4-21-32(2,30-26-17-9-5-13-22(26)23-14-6-10-18-27(23)30)31-28-19-11-7-15-24(28)25-16-8-12-20-29(25)31;2*1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28;;;;;;;;;;;;;;;/h3,5-20,22-31H,1,4,21H2,2H3;2*1-16,19-28H,17-18H2;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6
• InChIKey: PSDGBFNXQAIBFH-UHFFFAOYSA-H
• XLogP: 27.59
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1746.41
LogP ≤ 5	27.59
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+))?

The IUPAC name of bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+)) (CID 162275447) is bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+)).

What is the SMILES notation for bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+))?

The canonical SMILES for bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+)) is C1=CC2C3C=CC=CC3C(CCC3C4C=CC=CC4C4C=CC=CC43)C2C=C1.C1=CC2C3C=CC=CC3C(CCC3C4C=CC=CC4C4C=CC=CC43)C2C=C1.C=CCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+))?

The InChIKey is PSDGBFNXQAIBFH-UHFFFAOYSA-H. The full InChI is InChI=1S/C31H36Si.2C28H30.6CH3.6ClH.3Zr/c1-3-4-21-32(2,30-26-17-9-5-13-22(26)23-14-6-10-18-27(23)30)31-28-19-11-7-15-24(28)25-16-8-12-20-29(25)31;2*1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28;;;;;;;;;;;;;;;/h3,5-20,22-31H,1,4,21H2,2H3;2*1-16,19-28H,17-18H2;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6.

What are the key properties of bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+))?

bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+)) has a molecular weight of 1746.41 g/mol, XLogP of 27.59, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-but-3-enyl-methylsilane;carbanide;tris(dichlorozirconium(2+)) is sourced from PubChem (CID 162275447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).