CID 173224301

C30H36NSiZr+ — CID 173224301

IUPAC—
SMILESC[Si]C.Cc1ccccc1[N+](C)(C)C.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H16N.2C9H7.C2H6Si.Zr/c1-9-7-5-6-8-10(9)11(2,3)4;2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;/h5-8H,1-4H3;2*1-7H;1-2H3;/q+1;2*-1;;+2
InChIKeyNQAWAYFITWQNRL-UHFFFAOYSA-N
MW529.94 g/mol
LogP8.09
Rot. Bonds1

About CID 173224301

CID 173224301 (PubChem CID 173224301) has the molecular formula C30H36NSiZr+ and a molecular weight of 529.94 g/mol.

Molecular Properties

Compound NameCID 173224301
PubChem CID173224301
Molecular FormulaC30H36NSiZr+
Molecular Weight529.94 g/mol
Exact Mass528.17
IUPAC Name—
SMILESC[Si]C.Cc1ccccc1[N+](C)(C)C.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H16N.2C9H7.C2H6Si.Zr/c1-9-7-5-6-8-10(9)11(2,3)4;2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;/h5-8H,1-4H3;2*1-7H;1-2H3;/q+1;2*-1;;+2
InChIKeyNQAWAYFITWQNRL-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.94
LogP ≤ 58.09
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173224301?
The IUPAC name of CID 173224301 (CID 173224301) is not available.
What is the SMILES notation for CID 173224301?
The canonical SMILES for CID 173224301 is C[Si]C.Cc1ccccc1[N+](C)(C)C.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173224301?
The InChIKey is NQAWAYFITWQNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.2C9H7.C2H6Si.Zr/c1-9-7-5-6-8-10(9)11(2,3)4;2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;/h5-8H,1-4H3;2*1-7H;1-2H3;/q+1;2*-1;;+2.
What are the key properties of CID 173224301?
CID 173224301 has a molecular weight of 529.94 g/mol, XLogP of 8.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173224301 is sourced from PubChem (CID 173224301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).