CID 173209747

C32H34Cl2N2SiZr — CID 173209747

IUPAC—
SMILESC[Si]C.Cc1cc2c(-c3cccn3C)cccc2[cH-]1.Cc1cc2c(-c3cccn3C)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C15H14N.C2H6Si.2ClH.Zr/c2*1-11-9-12-5-3-6-13(14(12)10-11)15-7-4-8-16(15)2;1-3-2;;;/h2*3-10H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyYFNMGNWBSFYTOO-UHFFFAOYSA-L
MW636.85 g/mol
LogP9.91
Rot. Bonds2

About CID 173209747

CID 173209747 (PubChem CID 173209747) has the molecular formula C32H34Cl2N2SiZr and a molecular weight of 636.85 g/mol.

Molecular Properties

Compound NameCID 173209747
PubChem CID173209747
Molecular FormulaC32H34Cl2N2SiZr
Molecular Weight636.85 g/mol
Exact Mass634.09
IUPAC Name—
SMILESC[Si]C.Cc1cc2c(-c3cccn3C)cccc2[cH-]1.Cc1cc2c(-c3cccn3C)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C15H14N.C2H6Si.2ClH.Zr/c2*1-11-9-12-5-3-6-13(14(12)10-11)15-7-4-8-16(15)2;1-3-2;;;/h2*3-10H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyYFNMGNWBSFYTOO-UHFFFAOYSA-L
XLogP9.91
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.85
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of CID 173209747?
The IUPAC name of CID 173209747 (CID 173209747) is not available.
What is the SMILES notation for CID 173209747?
The canonical SMILES for CID 173209747 is C[Si]C.Cc1cc2c(-c3cccn3C)cccc2[cH-]1.Cc1cc2c(-c3cccn3C)cccc2[cH-]1.Cl[Zr+2]Cl.
What is the InChIKey of CID 173209747?
The InChIKey is YFNMGNWBSFYTOO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H14N.C2H6Si.2ClH.Zr/c2*1-11-9-12-5-3-6-13(14(12)10-11)15-7-4-8-16(15)2;1-3-2;;;/h2*3-10H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173209747?
CID 173209747 has a molecular weight of 636.85 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173209747 is sourced from PubChem (CID 173209747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).