CID 173313975

C36H28O8Pb-4 — CID 173313975

IUPAC—
SMILESC=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].[Pb]
InChIInChI=1S/4C9H8O2.Pb/c4*1-2-7-5-3-4-6-8(7)9(10)11;/h4*2-6H,1H2,(H,10,11);/p-4
InChIKeyDCOLSWNPLVKIAE-UHFFFAOYSA-J
MW795.81 g/mol
LogP2.39
Rot. Bonds8

About CID 173313975

CID 173313975 (PubChem CID 173313975) has the molecular formula C36H28O8Pb-4 and a molecular weight of 795.81 g/mol.

Molecular Properties

Compound NameCID 173313975
PubChem CID173313975
Molecular FormulaC36H28O8Pb-4
Molecular Weight795.81 g/mol
Exact Mass796.16
IUPAC Name—
SMILESC=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].[Pb]
InChIInChI=1S/4C9H8O2.Pb/c4*1-2-7-5-3-4-6-8(7)9(10)11;/h4*2-6H,1H2,(H,10,11);/p-4
InChIKeyDCOLSWNPLVKIAE-UHFFFAOYSA-J
XLogP2.39
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500795.81
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 173313975?
The IUPAC name of CID 173313975 (CID 173313975) is not available.
What is the SMILES notation for CID 173313975?
The canonical SMILES for CID 173313975 is C=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].C=Cc1ccccc1C(=O)[O-].[Pb].
What is the InChIKey of CID 173313975?
The InChIKey is DCOLSWNPLVKIAE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H8O2.Pb/c4*1-2-7-5-3-4-6-8(7)9(10)11;/h4*2-6H,1H2,(H,10,11);/p-4.
What are the key properties of CID 173313975?
CID 173313975 has a molecular weight of 795.81 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173313975 is sourced from PubChem (CID 173313975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).