CID 150385973

C52H42SiZr — CID 150385973

IUPAC—
SMILESC[CH-]C.Cc1cc(-c2cc3ccccc3[cH-]2)c2c(ccc3ccccc32)c1.Cc1cc(-c2cc3ccccc3[cH-]2)c2c(ccc3ccccc32)c1.[CH-]=[Si].[Zr+4]
InChIInChI=1S/2C24H17.C3H7.CHSi.Zr/c2*1-16-12-20-11-10-17-6-4-5-9-22(17)24(20)23(13-16)21-14-18-7-2-3-8-19(18)15-21;1-3-2;1-2;/h2*2-15H,1H3;3H,1-2H3;1H;/q4*-1;+4
InChIKeyGHOAFPJWNZDJFW-UHFFFAOYSA-N
MW786.22 g/mol
LogP14.37
Rot. Bonds2

About CID 150385973

CID 150385973 (PubChem CID 150385973) has the molecular formula C52H42SiZr and a molecular weight of 786.22 g/mol.

Molecular Properties

Compound NameCID 150385973
PubChem CID150385973
Molecular FormulaC52H42SiZr
Molecular Weight786.22 g/mol
Exact Mass784.21
IUPAC Name—
SMILESC[CH-]C.Cc1cc(-c2cc3ccccc3[cH-]2)c2c(ccc3ccccc32)c1.Cc1cc(-c2cc3ccccc3[cH-]2)c2c(ccc3ccccc32)c1.[CH-]=[Si].[Zr+4]
InChIInChI=1S/2C24H17.C3H7.CHSi.Zr/c2*1-16-12-20-11-10-17-6-4-5-9-22(17)24(20)23(13-16)21-14-18-7-2-3-8-19(18)15-21;1-3-2;1-2;/h2*2-15H,1H3;3H,1-2H3;1H;/q4*-1;+4
InChIKeyGHOAFPJWNZDJFW-UHFFFAOYSA-N
XLogP14.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.22
LogP ≤ 514.37
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 150385973?
The IUPAC name of CID 150385973 (CID 150385973) is not available.
What is the SMILES notation for CID 150385973?
The canonical SMILES for CID 150385973 is C[CH-]C.Cc1cc(-c2cc3ccccc3[cH-]2)c2c(ccc3ccccc32)c1.Cc1cc(-c2cc3ccccc3[cH-]2)c2c(ccc3ccccc32)c1.[CH-]=[Si].[Zr+4].
What is the InChIKey of CID 150385973?
The InChIKey is GHOAFPJWNZDJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H17.C3H7.CHSi.Zr/c2*1-16-12-20-11-10-17-6-4-5-9-22(17)24(20)23(13-16)21-14-18-7-2-3-8-19(18)15-21;1-3-2;1-2;/h2*2-15H,1H3;3H,1-2H3;1H;/q4*-1;+4.
What are the key properties of CID 150385973?
CID 150385973 has a molecular weight of 786.22 g/mol, XLogP of 14.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150385973 is sourced from PubChem (CID 150385973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).