CID 91802378

C18H8Si2 — CID 91802378

IUPAC—
SMILES[Si]C#Cc1ccc2cc3ccc(C#C[Si])cc3cc2c1
InChIInChI=1S/C18H8Si2/c19-7-5-13-1-3-15-11-16-4-2-14(6-8-20)10-18(16)12-17(15)9-13/h1-4,9-12H
InChIKeyLMECVIJYGILRGQ-UHFFFAOYSA-N
MW280.43 g/mol
LogP2.95
Rot. Bonds

About CID 91802378

CID 91802378 (PubChem CID 91802378) has the molecular formula C18H8Si2 and a molecular weight of 280.43 g/mol.

Molecular Properties

Compound NameCID 91802378
PubChem CID91802378
Molecular FormulaC18H8Si2
Molecular Weight280.43 g/mol
Exact Mass280.02
IUPAC Name—
SMILES[Si]C#Cc1ccc2cc3ccc(C#C[Si])cc3cc2c1
InChIInChI=1S/C18H8Si2/c19-7-5-13-1-3-15-11-16-4-2-14(6-8-20)10-18(16)12-17(15)9-13/h1-4,9-12H
InChIKeyLMECVIJYGILRGQ-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 91802378?
The IUPAC name of CID 91802378 (CID 91802378) is not available.
What is the SMILES notation for CID 91802378?
The canonical SMILES for CID 91802378 is [Si]C#Cc1ccc2cc3ccc(C#C[Si])cc3cc2c1.
What is the InChIKey of CID 91802378?
The InChIKey is LMECVIJYGILRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Si2/c19-7-5-13-1-3-15-11-16-4-2-14(6-8-20)10-18(16)12-17(15)9-13/h1-4,9-12H.
What are the key properties of CID 91802378?
CID 91802378 has a molecular weight of 280.43 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91802378 is sourced from PubChem (CID 91802378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).