CID 173192871

C48H36Cl2SiZr — CID 173192871

IUPAC—
SMILESC(#Cc1cccc2[cH-]c(-c3ccccc3)cc12)c1ccccc1.C(#Cc1cccc2[cH-]c(-c3ccccc3)cc12)c1ccccc1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C23H15.C2H6Si.2ClH.Zr/c2*1-3-8-18(9-4-1)14-15-20-12-7-13-21-16-22(17-23(20)21)19-10-5-2-6-11-19;1-3-2;;;/h2*1-13,16-17H;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUAUYERPKODIDOT-UHFFFAOYSA-L
MW803.03 g/mol
LogP13.41
Rot. Bonds2

About CID 173192871

CID 173192871 (PubChem CID 173192871) has the molecular formula C48H36Cl2SiZr and a molecular weight of 803.03 g/mol.

Molecular Properties

Compound NameCID 173192871
PubChem CID173192871
Molecular FormulaC48H36Cl2SiZr
Molecular Weight803.03 g/mol
Exact Mass800.10
IUPAC Name—
SMILESC(#Cc1cccc2[cH-]c(-c3ccccc3)cc12)c1ccccc1.C(#Cc1cccc2[cH-]c(-c3ccccc3)cc12)c1ccccc1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C23H15.C2H6Si.2ClH.Zr/c2*1-3-8-18(9-4-1)14-15-20-12-7-13-21-16-22(17-23(20)21)19-10-5-2-6-11-19;1-3-2;;;/h2*1-13,16-17H;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUAUYERPKODIDOT-UHFFFAOYSA-L
XLogP13.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.03
LogP ≤ 513.41
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173192871?
The IUPAC name of CID 173192871 (CID 173192871) is not available.
What is the SMILES notation for CID 173192871?
The canonical SMILES for CID 173192871 is C(#Cc1cccc2[cH-]c(-c3ccccc3)cc12)c1ccccc1.C(#Cc1cccc2[cH-]c(-c3ccccc3)cc12)c1ccccc1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173192871?
The InChIKey is UAUYERPKODIDOT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H15.C2H6Si.2ClH.Zr/c2*1-3-8-18(9-4-1)14-15-20-12-7-13-21-16-22(17-23(20)21)19-10-5-2-6-11-19;1-3-2;;;/h2*1-13,16-17H;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192871?
CID 173192871 has a molecular weight of 803.03 g/mol, XLogP of 13.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192871 is sourced from PubChem (CID 173192871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).