dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)

C28H22Cl2Zr — CID 87824196

IUPACdichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
SMILESCc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Zr+2]Cl
InChIInChI=1S/2C14H11.2ClH.Zr/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;/h2*2-7H,9H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyMFYYHLUZQDDCOY-UHFFFAOYSA-L
MW520.61 g/mol
LogP8.11
Rot. Bonds

About dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)

dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide) (PubChem CID 87824196) has the molecular formula C28H22Cl2Zr and a molecular weight of 520.61 g/mol. Its IUPAC name is dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide).

Molecular Properties

Compound Namedichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
PubChem CID87824196
Molecular FormulaC28H22Cl2Zr
Molecular Weight520.61 g/mol
Exact Mass518.01
IUPAC Namedichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
SMILESCc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Zr+2]Cl
InChIInChI=1S/2C14H11.2ClH.Zr/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;/h2*2-7H,9H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyMFYYHLUZQDDCOY-UHFFFAOYSA-L
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 58.11
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

2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
CID 87704393
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
CID 173312560
CID 173312560
CID 173312572
CID 173312572
bis(2,7-ditert-butyl-4-methyl-1,9-dihydrofluoren-1-ide);bis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(4+));tetrachloride
CID 161372658
lithium 2-cyclopenta-2,4-dien-1-yl-1,9-dihydrofluoren-1-ide
CID 161283415
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
CID 173187653
CID 173187653
3-ethylpentane;bis(9H-fluorene)
CID 161034043
CID 154493054
CID 154493054

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)?
The IUPAC name of dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide) (CID 87824196) is dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide).
What is the SMILES notation for dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)?
The canonical SMILES for dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide) is Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)?
The InChIKey is MFYYHLUZQDDCOY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H11.2ClH.Zr/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;/h2*2-7H,9H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)?
dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide) has a molecular weight of 520.61 g/mol, XLogP of 8.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide) is sourced from PubChem (CID 87824196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).