1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)

C38H32Zr — CID 150323383

IUPAC1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)
SMILESC[CH-]c1ccccc1.[C-]1=CC=c2ccc3c(c21)C=c1ccccc1=3.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4]
InChIInChI=1S/C16H9.C8H9.2C7H7.Zr/c1-2-6-14-12(4-1)10-16-13-7-3-5-11(13)8-9-15(14)16;1-2-8-6-4-3-5-7-8;2*1-7-5-3-2-4-6-7;/h1-6,8-10H;2-7H,1H3;2*2-6H,1H2;/q4*-1;+4
InChIKeyGOCMOFHPOMMHMU-UHFFFAOYSA-N
MW579.90 g/mol
LogP7.61
Rot. Bonds1

About 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)

1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+) (PubChem CID 150323383) has the molecular formula C38H32Zr and a molecular weight of 579.90 g/mol. Its IUPAC name is 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+).

Molecular Properties

Compound Name1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)
PubChem CID150323383
Molecular FormulaC38H32Zr
Molecular Weight579.90 g/mol
Exact Mass578.16
IUPAC Name1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)
SMILESC[CH-]c1ccccc1.[C-]1=CC=c2ccc3c(c21)C=c1ccccc1=3.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4]
InChIInChI=1S/C16H9.C8H9.2C7H7.Zr/c1-2-6-14-12(4-1)10-16-13-7-3-5-11(13)8-9-15(14)16;1-2-8-6-4-3-5-7-8;2*1-7-5-3-2-4-6-7;/h1-6,8-10H;2-7H,1H3;2*2-6H,1H2;/q4*-1;+4
InChIKeyGOCMOFHPOMMHMU-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.90
LogP ≤ 57.61
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

methanidylbenzene;1,2,3,4,5-pentamethylcyclopentane;zirconium(4+)
CID 23228926
1-methylcyclopenta[a]fluorene
CID 150535311
cyclopenta[a]fluoren-1-yl(dimethoxy)silane
CID 160805248
dilithium;ethene;ethylbenzene
CID 174868806
bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)
CID 87649127
2,4-dichlorobenzo[a]fluoren-1-one;pyrimidine
CID 175051503
bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride
CID 87773551
bromozinc(1+);methanidylbenzene
CID 6101044
N-methylperoxybenzo[a]fluoren-1-imine
CID 141413724
methanidylbenzene;uranium(2+)
CID 20736562
methanidylbenzene;zinc
CID 57471618
hafnium;methanidylbenzene
CID 57417385

Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)?
The IUPAC name of 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+) (CID 150323383) is 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+).
What is the SMILES notation for 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)?
The canonical SMILES for 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+) is C[CH-]c1ccccc1.[C-]1=CC=c2ccc3c(c21)C=c1ccccc1=3.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4].
What is the InChIKey of 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)?
The InChIKey is GOCMOFHPOMMHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9.C8H9.2C7H7.Zr/c1-2-6-14-12(4-1)10-16-13-7-3-5-11(13)8-9-15(14)16;1-2-8-6-4-3-5-7-8;2*1-7-5-3-2-4-6-7;/h1-6,8-10H;2-7H,1H3;2*2-6H,1H2;/q4*-1;+4.
What are the key properties of 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)?
1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+) has a molecular weight of 579.90 g/mol, XLogP of 7.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+) is sourced from PubChem (CID 150323383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).