CID 173192554

C32H30Cl2N2SiZr — CID 173192554

IUPAC—
SMILESC[Si]C.Cc1cc2c(-c3cccnc3)cccc2[cH-]1.Cc1cc2c(-c3cccnc3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C15H12N.C2H6Si.2ClH.Zr/c2*1-11-8-12-4-2-6-14(15(12)9-11)13-5-3-7-16-10-13;1-3-2;;;/h2*2-10H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJSRFTIZFARZFEN-UHFFFAOYSA-L
MW632.82 g/mol
LogP10.02
Rot. Bonds2

About CID 173192554

CID 173192554 (PubChem CID 173192554) has the molecular formula C32H30Cl2N2SiZr and a molecular weight of 632.82 g/mol.

Molecular Properties

Compound NameCID 173192554
PubChem CID173192554
Molecular FormulaC32H30Cl2N2SiZr
Molecular Weight632.82 g/mol
Exact Mass630.06
IUPAC Name—
SMILESC[Si]C.Cc1cc2c(-c3cccnc3)cccc2[cH-]1.Cc1cc2c(-c3cccnc3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C15H12N.C2H6Si.2ClH.Zr/c2*1-11-8-12-4-2-6-14(15(12)9-11)13-5-3-7-16-10-13;1-3-2;;;/h2*2-10H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJSRFTIZFARZFEN-UHFFFAOYSA-L
XLogP10.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.82
LogP ≤ 510.02
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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dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
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3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of CID 173192554?
The IUPAC name of CID 173192554 (CID 173192554) is not available.
What is the SMILES notation for CID 173192554?
The canonical SMILES for CID 173192554 is C[Si]C.Cc1cc2c(-c3cccnc3)cccc2[cH-]1.Cc1cc2c(-c3cccnc3)cccc2[cH-]1.Cl[Zr+2]Cl.
What is the InChIKey of CID 173192554?
The InChIKey is JSRFTIZFARZFEN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H12N.C2H6Si.2ClH.Zr/c2*1-11-8-12-4-2-6-14(15(12)9-11)13-5-3-7-16-10-13;1-3-2;;;/h2*2-10H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192554?
CID 173192554 has a molecular weight of 632.82 g/mol, XLogP of 10.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192554 is sourced from PubChem (CID 173192554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).