CID 135081454

C24H24Cl2Zr — CID 135081454

IUPAC—
SMILESCC(C)(C)[C]1[CH][CH][C](CC[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1.Cl[Zr]Cl
InChIInChI=1S/C24H24.2ClH.Zr/c1-24(2,3)18-14-12-17(16-18)13-15-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23;;;/h4-12,14,16H,13,15H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyAHYBXWBLFORWMN-UHFFFAOYSA-L
MW474.59 g/mol
LogP7.10
Rot. Bonds3

About CID 135081454

CID 135081454 (PubChem CID 135081454) has the molecular formula C24H24Cl2Zr and a molecular weight of 474.59 g/mol.

Molecular Properties

Compound NameCID 135081454
PubChem CID135081454
Molecular FormulaC24H24Cl2Zr
Molecular Weight474.59 g/mol
Exact Mass472.03
IUPAC Name—
SMILESCC(C)(C)[C]1[CH][CH][C](CC[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1.Cl[Zr]Cl
InChIInChI=1S/C24H24.2ClH.Zr/c1-24(2,3)18-14-12-17(16-18)13-15-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23;;;/h4-12,14,16H,13,15H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyAHYBXWBLFORWMN-UHFFFAOYSA-L
XLogP7.10
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 ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 135081454?
The IUPAC name of CID 135081454 (CID 135081454) is not available.
What is the SMILES notation for CID 135081454?
The canonical SMILES for CID 135081454 is CC(C)(C)[C]1[CH][CH][C](CC[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1.Cl[Zr]Cl.
What is the InChIKey of CID 135081454?
The InChIKey is AHYBXWBLFORWMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H24.2ClH.Zr/c1-24(2,3)18-14-12-17(16-18)13-15-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23;;;/h4-12,14,16H,13,15H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 135081454?
CID 135081454 has a molecular weight of 474.59 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081454 is sourced from PubChem (CID 135081454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).