9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride

C28H34Cl2Zr — CID 157173192

IUPAC9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride
SMILESCCCCCCCCC(CC1c2ccccc2-c2ccccc21)C1C=CC=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C28H34.2ClH.Zr/c1-2-3-4-5-6-7-16-23(22-14-8-9-15-22)21-28-26-19-12-10-17-24(26)25-18-11-13-20-27(25)28;;;/h8-15,17-20,22-23,28H,2-7,16,21H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyPYLAAIWDWPNJDN-UHFFFAOYSA-L
MW532.71 g/mol
LogP2.30
Rot. Bonds10

About 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride

9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride (PubChem CID 157173192) has the molecular formula C28H34Cl2Zr and a molecular weight of 532.71 g/mol. Its IUPAC name is 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride.

Molecular Properties

Compound Name9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride
PubChem CID157173192
Molecular FormulaC28H34Cl2Zr
Molecular Weight532.71 g/mol
Exact Mass530.11
IUPAC Name9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride
SMILESCCCCCCCCC(CC1c2ccccc2-c2ccccc21)C1C=CC=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C28H34.2ClH.Zr/c1-2-3-4-5-6-7-16-23(22-14-8-9-15-22)21-28-26-19-12-10-17-24(26)25-18-11-13-20-27(25)28;;;/h8-15,17-20,22-23,28H,2-7,16,21H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyPYLAAIWDWPNJDN-UHFFFAOYSA-L
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.71
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-nonyl-9H-fluorene
CID 22568532
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
1-cyclopenta-2,4-dien-1-ylhexadecane-1-thiol
CID 154732372
9-hexan-2-yloxy-9H-fluorene
CID 126552429
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene
CID 158260955
2-(dibromomethyl)-9-octyl-9H-fluorene
CID 141093380
9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene
CID 101061836
triphenyl(undecyl)phosphanium chloride
CID 22921220
1-phenyltellanyldodecyltellanylbenzene
CID 12661084
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride?
The IUPAC name of 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride (CID 157173192) is 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride.
What is the SMILES notation for 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride?
The canonical SMILES for 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride is CCCCCCCCC(CC1c2ccccc2-c2ccccc21)C1C=CC=C1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride?
The InChIKey is PYLAAIWDWPNJDN-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H34.2ClH.Zr/c1-2-3-4-5-6-7-16-23(22-14-8-9-15-22)21-28-26-19-12-10-17-24(26)25-18-11-13-20-27(25)28;;;/h8-15,17-20,22-23,28H,2-7,16,21H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride?
9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride has a molecular weight of 532.71 g/mol, XLogP of 2.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride is sourced from PubChem (CID 157173192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).