CID 173192733

C47H38Cl2SiZr — CID 173192733

IUPAC—
SMILESC[Si]c1ccccc1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C20H15.C7H8Si.2ClH.Zr/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18;1-8-7-5-3-2-4-6-7;;;/h2*2-13H,1H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeySWVNTSHLMYLGON-UHFFFAOYSA-L
MW793.04 g/mol
LogP13.82
Rot. Bonds3

About CID 173192733

CID 173192733 (PubChem CID 173192733) has the molecular formula C47H38Cl2SiZr and a molecular weight of 793.04 g/mol.

Molecular Properties

Compound NameCID 173192733
PubChem CID173192733
Molecular FormulaC47H38Cl2SiZr
Molecular Weight793.04 g/mol
Exact Mass790.12
IUPAC Name—
SMILESC[Si]c1ccccc1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C20H15.C7H8Si.2ClH.Zr/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18;1-8-7-5-3-2-4-6-7;;;/h2*2-13H,1H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeySWVNTSHLMYLGON-UHFFFAOYSA-L
XLogP13.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.04
LogP ≤ 513.82
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

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Frequently Asked Questions

What is the IUPAC name of CID 173192733?
The IUPAC name of CID 173192733 (CID 173192733) is not available.
What is the SMILES notation for CID 173192733?
The canonical SMILES for CID 173192733 is C[Si]c1ccccc1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cl[Zr+2]Cl.
What is the InChIKey of CID 173192733?
The InChIKey is SWVNTSHLMYLGON-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H15.C7H8Si.2ClH.Zr/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18;1-8-7-5-3-2-4-6-7;;;/h2*2-13H,1H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192733?
CID 173192733 has a molecular weight of 793.04 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192733 is sourced from PubChem (CID 173192733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).