cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride

C35H30Cl2Ti-2 — CID 87146315

IUPACcyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+2]=C1CCCC1.[c-]1c(-c2ccccc2)ccc2c1Cc1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C25H17.C5H8.C5H5.2ClH.Ti/c1-3-7-18(8-4-1)20-11-13-24-22(15-20)17-23-16-21(12-14-25(23)24)19-9-5-2-6-10-19;2*1-2-4-5-3-1;;;/h1-15H,17H2;1-4H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyLIQWPDSZRQFHIG-UHFFFAOYSA-L
MW569.40 g/mol
LogP2.99
Rot. Bonds2

About cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride

cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride (PubChem CID 87146315) has the molecular formula C35H30Cl2Ti-2 and a molecular weight of 569.40 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride
PubChem CID87146315
Molecular FormulaC35H30Cl2Ti-2
Molecular Weight569.40 g/mol
Exact Mass568.12
IUPAC Namecyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+2]=C1CCCC1.[c-]1c(-c2ccccc2)ccc2c1Cc1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C25H17.C5H8.C5H5.2ClH.Ti/c1-3-7-18(8-4-1)20-11-13-24-22(15-20)17-23-16-21(12-14-25(23)24)19-9-5-2-6-10-19;2*1-2-4-5-3-1;;;/h1-15H,17H2;1-4H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyLIQWPDSZRQFHIG-UHFFFAOYSA-L
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopenta-1,3-diene);bis(2,7-diphenyl-1,9-dihydrofluoren-1-ide);bis(1-phenylethylidenetitanium(2+));dichloride
CID 22012855
2,7-bis(2,4,6-trimethylphenyl)-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;1-phenylethylidenetitanium(2+);dichloride
CID 87146804
cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);3,6-diphenyl-1,9-dihydrofluoren-1-ide
CID 173203085
bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
CID 158996763
bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride
CID 22599253
CID 173020337
CID 173020337
1,1'-biphenyl;carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;zirconium(3+);dihydrochloride
CID 173153112
[(4-chlorophenyl)-phenylmethylidene]zirconium(2+);cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 87101599
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
CID 23102965
cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide
CID 173272622
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride?
The IUPAC name of cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride (CID 87146315) is cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Ti+2]=C1CCCC1.[c-]1c(-c2ccccc2)ccc2c1Cc1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride?
The InChIKey is LIQWPDSZRQFHIG-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H17.C5H8.C5H5.2ClH.Ti/c1-3-7-18(8-4-1)20-11-13-24-22(15-20)17-23-16-21(12-14-25(23)24)19-9-5-2-6-10-19;2*1-2-4-5-3-1;;;/h1-15H,17H2;1-4H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride?
cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride has a molecular weight of 569.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentylidenetitanium(2+);2,7-diphenyl-1,9-dihydrofluoren-1-ide;dichloride is sourced from PubChem (CID 87146315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).