dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene

C29H23Cl2Zr- — CID 87823992

IUPACdichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene
SMILESCl[Zr]Cl.c1ccc2c(c1)Cc1c([CH-]CCc3cccc4c3Cc3ccccc3-4)cccc1-2
InChIInChI=1S/C29H23.2ClH.Zr/c1-3-14-24-22(8-1)18-28-20(12-6-16-26(24)28)10-5-11-21-13-7-17-27-25-15-4-2-9-23(25)19-29(21)27;;;/h1-4,6-10,12-17H,5,11,18-19H2;2*1H;/q-1;;;+2/p-2
InChIKeyQGGKOWWOKHSNST-UHFFFAOYSA-L
MW533.63 g/mol
LogP8.39
Rot. Bonds4

About dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene

dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene (PubChem CID 87823992) has the molecular formula C29H23Cl2Zr- and a molecular weight of 533.63 g/mol. Its IUPAC name is dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene.

Molecular Properties

Compound Namedichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene
PubChem CID87823992
Molecular FormulaC29H23Cl2Zr-
Molecular Weight533.63 g/mol
Exact Mass531.02
IUPAC Namedichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene
SMILESCl[Zr]Cl.c1ccc2c(c1)Cc1c([CH-]CCc3cccc4c3Cc3ccccc3-4)cccc1-2
InChIInChI=1S/C29H23.2ClH.Zr/c1-3-14-24-22(8-1)18-28-20(12-6-16-26(24)28)10-5-11-21-13-7-17-27-25-15-4-2-9-23(25)19-29(21)27;;;/h1-4,6-10,12-17H,5,11,18-19H2;2*1H;/q-1;;;+2/p-2
InChIKeyQGGKOWWOKHSNST-UHFFFAOYSA-L
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene with MolForge

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Related Compounds

5-(9H-fluoren-1-yl)pentane-1-thiol
CID 141354890
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;dichlorozirconium
CID 140968929
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
1-(4,4,4-trifluorobutyl)-9H-fluorene
CID 157441303
butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
CID 173317551
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
1-(2-methylpropyl)-9H-fluorene
CID 87557268
2-(9H-fluoren-1-yl)acetamide
CID 22939017
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium;dihydrochloride
CID 173337763
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene?
The IUPAC name of dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene (CID 87823992) is dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene.
What is the SMILES notation for dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene?
The canonical SMILES for dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene is Cl[Zr]Cl.c1ccc2c(c1)Cc1c([CH-]CCc3cccc4c3Cc3ccccc3-4)cccc1-2.
What is the InChIKey of dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene?
The InChIKey is QGGKOWWOKHSNST-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H23.2ClH.Zr/c1-3-14-24-22(8-1)18-28-20(12-6-16-26(24)28)10-5-11-21-13-7-17-27-25-15-4-2-9-23(25)19-29(21)27;;;/h1-4,6-10,12-17H,5,11,18-19H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene?
dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene has a molecular weight of 533.63 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene is sourced from PubChem (CID 87823992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).