CID 59129926

C20H16RaRbY2-2 — CID 59129926

IUPAC—
SMILES[Ra].[Rb].[Y].[Y].[c-]1ccc(Cc2ccc(Cc3cc[c-]cc3)cc2)cc1
InChIInChI=1S/C20H16.Ra.Rb.2Y/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;;;;/h3-14H,15-16H2;;;;/q-2;;;;
InChIKeyFLHHEGOMLIQUJX-UHFFFAOYSA-N
MW745.63 g/mol
LogP4.08
Rot. Bonds4

About CID 59129926

CID 59129926 (PubChem CID 59129926) has the molecular formula C20H16RaRbY2-2 and a molecular weight of 745.63 g/mol.

Molecular Properties

Compound NameCID 59129926
PubChem CID59129926
Molecular FormulaC20H16RaRbY2-2
Molecular Weight745.63 g/mol
Exact Mass744.88
IUPAC Name—
SMILES[Ra].[Rb].[Y].[Y].[c-]1ccc(Cc2ccc(Cc3cc[c-]cc3)cc2)cc1
InChIInChI=1S/C20H16.Ra.Rb.2Y/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;;;;/h3-14H,15-16H2;;;;/q-2;;;;
InChIKeyFLHHEGOMLIQUJX-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500745.63
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59129926?
The IUPAC name of CID 59129926 (CID 59129926) is not available.
What is the SMILES notation for CID 59129926?
The canonical SMILES for CID 59129926 is [Ra].[Rb].[Y].[Y].[c-]1ccc(Cc2ccc(Cc3cc[c-]cc3)cc2)cc1.
What is the InChIKey of CID 59129926?
The InChIKey is FLHHEGOMLIQUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.Ra.Rb.2Y/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;;;;/h3-14H,15-16H2;;;;/q-2;;;;.
What are the key properties of CID 59129926?
CID 59129926 has a molecular weight of 745.63 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59129926 is sourced from PubChem (CID 59129926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).