CID 150666493

C39H34SiZr — CID 150666493

IUPAC—
SMILESC[Si]c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Zr+2]
InChIInChI=1S/2C16H13.C7H8Si.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-7-5-3-2-4-6-7;/h2*2-11H,1H3;2-6H,1H3;/q2*-1;;+2
InChIKeyBZANQKPMEFXHEH-UHFFFAOYSA-N
MW622.01 g/mol
LogP10.13
Rot. Bonds3

About CID 150666493

CID 150666493 (PubChem CID 150666493) has the molecular formula C39H34SiZr and a molecular weight of 622.01 g/mol.

Molecular Properties

Compound NameCID 150666493
PubChem CID150666493
Molecular FormulaC39H34SiZr
Molecular Weight622.01 g/mol
Exact Mass620.15
IUPAC Name—
SMILESC[Si]c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Zr+2]
InChIInChI=1S/2C16H13.C7H8Si.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-7-5-3-2-4-6-7;/h2*2-11H,1H3;2-6H,1H3;/q2*-1;;+2
InChIKeyBZANQKPMEFXHEH-UHFFFAOYSA-N
XLogP10.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.01
LogP ≤ 510.13
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 150666493?
The IUPAC name of CID 150666493 (CID 150666493) is not available.
What is the SMILES notation for CID 150666493?
The canonical SMILES for CID 150666493 is C[Si]c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Zr+2].
What is the InChIKey of CID 150666493?
The InChIKey is BZANQKPMEFXHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13.C7H8Si.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-8-7-5-3-2-4-6-7;/h2*2-11H,1H3;2-6H,1H3;/q2*-1;;+2.
What are the key properties of CID 150666493?
CID 150666493 has a molecular weight of 622.01 g/mol, XLogP of 10.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150666493 is sourced from PubChem (CID 150666493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).