9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium

C30H24Zr — CID 173317881

IUPAC9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium
SMILESC=CC1c2ccccc2-c2cccc(CCC3c4ccccc4-c4ccccc43)c21.[Zr]
InChIInChI=1S/C30H24.Zr/c1-2-21-22-11-3-8-16-27(22)29-17-9-10-20(30(21)29)18-19-28-25-14-6-4-12-23(25)24-13-5-7-15-26(24)28;/h2-17,21,28H,1,18-19H2;
InChIKeyLDWKVRCAYCKVCU-UHFFFAOYSA-N
MW475.75 g/mol
LogP7.73
Rot. Bonds4

About 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium

9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium (PubChem CID 173317881) has the molecular formula C30H24Zr and a molecular weight of 475.75 g/mol. Its IUPAC name is 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium.

Molecular Properties

Compound Name9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium
PubChem CID173317881
Molecular FormulaC30H24Zr
Molecular Weight475.75 g/mol
Exact Mass474.09
IUPAC Name9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium
SMILESC=CC1c2ccccc2-c2cccc(CCC3c4ccccc4-c4ccccc43)c21.[Zr]
InChIInChI=1S/C30H24.Zr/c1-2-21-22-11-3-8-16-27(22)29-17-9-10-20(30(21)29)18-19-28-25-14-6-4-12-23(25)24-13-5-7-15-26(24)28;/h2-17,21,28H,1,18-19H2;
InChIKeyLDWKVRCAYCKVCU-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.75
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 15899658
4-(9H-fluoren-9-yl)butan-1-ol
CID 10060129
9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
CID 54177518
9-ethyl-1-methyl-9H-fluorene
CID 15584367
9-[2-(1-pent-1-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
CID 54378698
[2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane
CID 54448104
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
9H-fluorene-9-carbaldehyde
CID 11074281
1-(2-bromoethyl)-9H-fluorene-9-sulfonyl chloride
CID 88744545
1-cyclopenta-1,4-dien-1-yl-9-prop-2-enyl-9H-fluorene;zirconium(3+);dichloride
CID 87972320
ethane;ethenol;9-ethyl-9H-fluorene
CID 142934939
9-nonyl-9H-fluorene
CID 22568532

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium?
The IUPAC name of 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium (CID 173317881) is 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium.
What is the SMILES notation for 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium?
The canonical SMILES for 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium is C=CC1c2ccccc2-c2cccc(CCC3c4ccccc4-c4ccccc43)c21.[Zr].
What is the InChIKey of 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium?
The InChIKey is LDWKVRCAYCKVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24.Zr/c1-2-21-22-11-3-8-16-27(22)29-17-9-10-20(30(21)29)18-19-28-25-14-6-4-12-23(25)24-13-5-7-15-26(24)28;/h2-17,21,28H,1,18-19H2;.
What are the key properties of 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium?
9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium has a molecular weight of 475.75 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-1-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;zirconium is sourced from PubChem (CID 173317881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).