CID 173192550

C34H38Cl2N2SiZr — CID 173192550

IUPAC—
SMILESCCc1cc2c(-c3ccn(C)c3)cccc2[cH-]1.CCc1cc2c(-c3ccn(C)c3)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C16H16N.C2H6Si.2ClH.Zr/c2*1-3-12-9-13-5-4-6-15(16(13)10-12)14-7-8-17(2)11-14;1-3-2;;;/h2*4-11H,3H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyCSXQIWJRHHRJKV-UHFFFAOYSA-L
MW664.91 g/mol
LogP10.42
Rot. Bonds4

About CID 173192550

CID 173192550 (PubChem CID 173192550) has the molecular formula C34H38Cl2N2SiZr and a molecular weight of 664.91 g/mol.

Molecular Properties

Compound NameCID 173192550
PubChem CID173192550
Molecular FormulaC34H38Cl2N2SiZr
Molecular Weight664.91 g/mol
Exact Mass662.12
IUPAC Name—
SMILESCCc1cc2c(-c3ccn(C)c3)cccc2[cH-]1.CCc1cc2c(-c3ccn(C)c3)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C16H16N.C2H6Si.2ClH.Zr/c2*1-3-12-9-13-5-4-6-15(16(13)10-12)14-7-8-17(2)11-14;1-3-2;;;/h2*4-11H,3H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyCSXQIWJRHHRJKV-UHFFFAOYSA-L
XLogP10.42
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.91
LogP ≤ 510.42
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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Frequently Asked Questions

What is the IUPAC name of CID 173192550?
The IUPAC name of CID 173192550 (CID 173192550) is not available.
What is the SMILES notation for CID 173192550?
The canonical SMILES for CID 173192550 is CCc1cc2c(-c3ccn(C)c3)cccc2[cH-]1.CCc1cc2c(-c3ccn(C)c3)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173192550?
The InChIKey is CSXQIWJRHHRJKV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H16N.C2H6Si.2ClH.Zr/c2*1-3-12-9-13-5-4-6-15(16(13)10-12)14-7-8-17(2)11-14;1-3-2;;;/h2*4-11H,3H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192550?
CID 173192550 has a molecular weight of 664.91 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192550 is sourced from PubChem (CID 173192550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).