CID 87675065

C30H28Cl2SiZr — CID 87675065

IUPAC—
SMILESC1=CC(CC[CH-]C2C(C3C=Cc4ccccc43)[Si]2Cc2ccccc2)c2ccccc21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C30H28Si.2ClH.Zr/c1-2-9-22(10-3-1)21-31-29(30(31)28-20-19-25-12-5-7-15-27(25)28)16-8-13-24-18-17-23-11-4-6-14-26(23)24;;;/h1-7,9-12,14-20,24,28-30H,8,13,21H2;2*1H;/q-1;;;+3/p-2
InChIKeyVCIWROXNFLKRAE-UHFFFAOYSA-L
MW578.77 g/mol
LogP1.63
Rot. Bonds7

About CID 87675065

CID 87675065 (PubChem CID 87675065) has the molecular formula C30H28Cl2SiZr and a molecular weight of 578.77 g/mol.

Molecular Properties

Compound NameCID 87675065
PubChem CID87675065
Molecular FormulaC30H28Cl2SiZr
Molecular Weight578.77 g/mol
Exact Mass576.04
IUPAC Name—
SMILESC1=CC(CC[CH-]C2C(C3C=Cc4ccccc43)[Si]2Cc2ccccc2)c2ccccc21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C30H28Si.2ClH.Zr/c1-2-9-22(10-3-1)21-31-29(30(31)28-20-19-25-12-5-7-15-27(25)28)16-8-13-24-18-17-23-11-4-6-14-26(23)24;;;/h1-7,9-12,14-20,24,28-30H,8,13,21H2;2*1H;/q-1;;;+3/p-2
InChIKeyVCIWROXNFLKRAE-UHFFFAOYSA-L
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.77
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87675065?
The IUPAC name of CID 87675065 (CID 87675065) is not available.
What is the SMILES notation for CID 87675065?
The canonical SMILES for CID 87675065 is C1=CC(CC[CH-]C2C(C3C=Cc4ccccc43)[Si]2Cc2ccccc2)c2ccccc21.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 87675065?
The InChIKey is VCIWROXNFLKRAE-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H28Si.2ClH.Zr/c1-2-9-22(10-3-1)21-31-29(30(31)28-20-19-25-12-5-7-15-27(25)28)16-8-13-24-18-17-23-11-4-6-14-26(23)24;;;/h1-7,9-12,14-20,24,28-30H,8,13,21H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of CID 87675065?
CID 87675065 has a molecular weight of 578.77 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87675065 is sourced from PubChem (CID 87675065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).