CID 135081452

C24H24Cl2Zr — CID 135081452

IUPAC—
SMILESC[C]1[CH][C]2[C](C=CC=C2C)[C]1CC[C]1[C](C)[CH][C]2[C]1C=CC=C2C.Cl[Zr]Cl
InChIInChI=1S/C24H24.2ClH.Zr/c1-15-7-5-9-21-19(17(3)13-23(15)21)11-12-20-18(4)14-24-16(2)8-6-10-22(20)24;;;/h5-10,13-14H,11-12H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyJNYXXEAQZPEXDN-UHFFFAOYSA-L
MW474.59 g/mol
LogP7.25
Rot. Bonds3

About CID 135081452

CID 135081452 (PubChem CID 135081452) has the molecular formula C24H24Cl2Zr and a molecular weight of 474.59 g/mol.

Molecular Properties

Compound NameCID 135081452
PubChem CID135081452
Molecular FormulaC24H24Cl2Zr
Molecular Weight474.59 g/mol
Exact Mass472.03
IUPAC Name—
SMILESC[C]1[CH][C]2[C](C=CC=C2C)[C]1CC[C]1[C](C)[CH][C]2[C]1C=CC=C2C.Cl[Zr]Cl
InChIInChI=1S/C24H24.2ClH.Zr/c1-15-7-5-9-21-19(17(3)13-23(15)21)11-12-20-18(4)14-24-16(2)8-6-10-22(20)24;;;/h5-10,13-14H,11-12H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyJNYXXEAQZPEXDN-UHFFFAOYSA-L
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 18402034
Bis(tetrahydroindenyl)ethane
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Bis(tetrahydroindenyl)zirconiumdichloride
CID 129694721
1,2-Bis(tetrahydroindenyl)ethane
CID 129702092
(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 134866152
Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride
CID 102600867
Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-
CID 102602477
Ethylenebis(1-indenyl)titanium(iv)dichloride
CID 102602582
(r,r,r)-1,2-Bis(tetrahydroindenyl)ethane
CID 129699750
CID 134902129
CID 134902129
CID 134903182
CID 134903182

Frequently Asked Questions

What is the IUPAC name of CID 135081452?
The IUPAC name of CID 135081452 (CID 135081452) is not available.
What is the SMILES notation for CID 135081452?
The canonical SMILES for CID 135081452 is C[C]1[CH][C]2[C](C=CC=C2C)[C]1CC[C]1[C](C)[CH][C]2[C]1C=CC=C2C.Cl[Zr]Cl.
What is the InChIKey of CID 135081452?
The InChIKey is JNYXXEAQZPEXDN-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H24.2ClH.Zr/c1-15-7-5-9-21-19(17(3)13-23(15)21)11-12-20-18(4)14-24-16(2)8-6-10-22(20)24;;;/h5-10,13-14H,11-12H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 135081452?
CID 135081452 has a molecular weight of 474.59 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081452 is sourced from PubChem (CID 135081452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).