CID 173230180

C34H24Cl2SiZr — CID 173230180

IUPAC—
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)ccc2[cH-]1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1[Si]c1ccccc1-2
InChIInChI=1S/C22H17.C12H7Si.2ClH.Zr/c1-16-14-19-12-13-20(17-8-4-2-5-9-17)22(21(19)15-16)18-10-6-3-7-11-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;/h2-15H,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLEXMXXJPPVSHTH-UHFFFAOYSA-L
MW622.78 g/mol
LogP1.33
Rot. Bonds2

About CID 173230180

CID 173230180 (PubChem CID 173230180) has the molecular formula C34H24Cl2SiZr and a molecular weight of 622.78 g/mol.

Molecular Properties

Compound NameCID 173230180
PubChem CID173230180
Molecular FormulaC34H24Cl2SiZr
Molecular Weight622.78 g/mol
Exact Mass620.01
IUPAC Name—
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)ccc2[cH-]1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1[Si]c1ccccc1-2
InChIInChI=1S/C22H17.C12H7Si.2ClH.Zr/c1-16-14-19-12-13-20(17-8-4-2-5-9-17)22(21(19)15-16)18-10-6-3-7-11-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;/h2-15H,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLEXMXXJPPVSHTH-UHFFFAOYSA-L
XLogP1.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.78
LogP ≤ 51.33
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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Related Compounds

CID 173229419
CID 173229419
CID 173229932
CID 173229932
CID 173229532
CID 173229532
CID 173229559
CID 173229559
CID 87866742
CID 87866742
CID 173230189
CID 173230189
CID 87702431
CID 87702431
CID 87866303
CID 87866303
CID 87702888
CID 87702888
CID 87866800
CID 87866800
CID 87703130
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CID 87703609

Frequently Asked Questions

What is the IUPAC name of CID 173230180?
The IUPAC name of CID 173230180 (CID 173230180) is not available.
What is the SMILES notation for CID 173230180?
The canonical SMILES for CID 173230180 is Cc1cc2c(-c3ccccc3)c(-c3ccccc3)ccc2[cH-]1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1[Si]c1ccccc1-2.
What is the InChIKey of CID 173230180?
The InChIKey is LEXMXXJPPVSHTH-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H17.C12H7Si.2ClH.Zr/c1-16-14-19-12-13-20(17-8-4-2-5-9-17)22(21(19)15-16)18-10-6-3-7-11-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;;/h2-15H,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of CID 173230180?
CID 173230180 has a molecular weight of 622.78 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173230180 is sourced from PubChem (CID 173230180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).