CID 173317264

C36H31Cl2NSiZr — CID 173317264

IUPAC—
SMILESC[Si]c1ccccc1.Cc1cc2c(-c3cccc4cccnc34)cccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/C19H14N.C10H9.C7H8Si.2ClH.Zr/c1-13-11-15-6-3-8-16(18(15)12-13)17-9-2-5-14-7-4-10-20-19(14)17;1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h2-12H,1H3;2-7H,1H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyFYCXRWCNLXWNEQ-UHFFFAOYSA-L
MW667.87 g/mol
LogP10.39
Rot. Bonds2

About CID 173317264

CID 173317264 (PubChem CID 173317264) has the molecular formula C36H31Cl2NSiZr and a molecular weight of 667.87 g/mol.

Molecular Properties

Compound NameCID 173317264
PubChem CID173317264
Molecular FormulaC36H31Cl2NSiZr
Molecular Weight667.87 g/mol
Exact Mass665.06
IUPAC Name—
SMILESC[Si]c1ccccc1.Cc1cc2c(-c3cccc4cccnc34)cccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/C19H14N.C10H9.C7H8Si.2ClH.Zr/c1-13-11-15-6-3-8-16(18(15)12-13)17-9-2-5-14-7-4-10-20-19(14)17;1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h2-12H,1H3;2-7H,1H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyFYCXRWCNLXWNEQ-UHFFFAOYSA-L
XLogP10.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.87
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 173317264?
The IUPAC name of CID 173317264 (CID 173317264) is not available.
What is the SMILES notation for CID 173317264?
The canonical SMILES for CID 173317264 is C[Si]c1ccccc1.Cc1cc2c(-c3cccc4cccnc34)cccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl.
What is the InChIKey of CID 173317264?
The InChIKey is FYCXRWCNLXWNEQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H14N.C10H9.C7H8Si.2ClH.Zr/c1-13-11-15-6-3-8-16(18(15)12-13)17-9-2-5-14-7-4-10-20-19(14)17;1-8-6-9-4-2-3-5-10(9)7-8;1-8-7-5-3-2-4-6-7;;;/h2-12H,1H3;2-7H,1H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173317264?
CID 173317264 has a molecular weight of 667.87 g/mol, XLogP of 10.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173317264 is sourced from PubChem (CID 173317264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).