2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride

C34H32Cl2SiZr-2 — CID 172684898

IUPAC2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCc1[cH-]c(C)c(C)c1C.[Cl-].[Cl-].[SiH2]=[Zr+2].[c-]1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2
InChIInChI=1S/C25H17.C9H13.2ClH.H2Si.Zr/c1-3-9-18(10-4-1)23-16-21-15-20-13-7-8-14-22(20)25(21)17-24(23)19-11-5-2-6-12-19;1-6-5-7(2)9(4)8(6)3;;;;/h1-14,17H,15H2;5H,1-4H3;2*1H;1H2;/q2*-1;;;;+2/p-2
InChIKeyPHNNLZLGLAQLJP-UHFFFAOYSA-L
MW630.85 g/mol
LogP2.12
Rot. Bonds2

About 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride

2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride (PubChem CID 172684898) has the molecular formula C34H32Cl2SiZr-2 and a molecular weight of 630.85 g/mol. Its IUPAC name is 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Name2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride
PubChem CID172684898
Molecular FormulaC34H32Cl2SiZr-2
Molecular Weight630.85 g/mol
Exact Mass628.07
IUPAC Name2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCc1[cH-]c(C)c(C)c1C.[Cl-].[Cl-].[SiH2]=[Zr+2].[c-]1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2
InChIInChI=1S/C25H17.C9H13.2ClH.H2Si.Zr/c1-3-9-18(10-4-1)23-16-21-15-20-13-7-8-14-22(20)25(21)17-24(23)19-11-5-2-6-12-19;1-6-5-7(2)9(4)8(6)3;;;;/h1-14,17H,15H2;5H,1-4H3;2*1H;1H2;/q2*-1;;;;+2/p-2
InChIKeyPHNNLZLGLAQLJP-UHFFFAOYSA-L
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.85
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159682527
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CID 172785188
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;zirconium(3+);dibromide
CID 174488507
bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)
CID 87295952
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;diphenylsilylidenehafnium(2+);dichloride
CID 158610965
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
benzylidenezirconium(2+);1,9-dihydrofluoren-1-ide;1,2,4-trimethylcyclopenta-1,3-diene;dichloride
CID 159019635
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)
CID 151556902

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride (CID 172684898) is 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride is Cc1[cH-]c(C)c(C)c1C.[Cl-].[Cl-].[SiH2]=[Zr+2].[c-]1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2.
What is the InChIKey of 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride?
The InChIKey is PHNNLZLGLAQLJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H17.C9H13.2ClH.H2Si.Zr/c1-3-9-18(10-4-1)23-16-21-15-20-13-7-8-14-22(20)25(21)17-24(23)19-11-5-2-6-12-19;1-6-5-7(2)9(4)8(6)3;;;;/h1-14,17H,15H2;5H,1-4H3;2*1H;1H2;/q2*-1;;;;+2/p-2.
What are the key properties of 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride?
2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride has a molecular weight of 630.85 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 172684898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).