CID 101297342

C32H28O8Pb-4 — CID 101297342

IUPAC—
SMILESCc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.[Pb]
InChIInChI=1S/4C8H8O2.Pb/c4*1-6-3-2-4-7(5-6)8(9)10;/h4*2-5H,1H3,(H,9,10);/p-4
InChIKeyCRSBNCOFLLZQQO-UHFFFAOYSA-J
MW747.77 g/mol
LogP1.05
Rot. Bonds4

About CID 101297342

CID 101297342 (PubChem CID 101297342) has the molecular formula C32H28O8Pb-4 and a molecular weight of 747.77 g/mol.

Molecular Properties

Compound NameCID 101297342
PubChem CID101297342
Molecular FormulaC32H28O8Pb-4
Molecular Weight747.77 g/mol
Exact Mass748.16
IUPAC Name—
SMILESCc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.[Pb]
InChIInChI=1S/4C8H8O2.Pb/c4*1-6-3-2-4-7(5-6)8(9)10;/h4*2-5H,1H3,(H,9,10);/p-4
InChIKeyCRSBNCOFLLZQQO-UHFFFAOYSA-J
XLogP1.05
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500747.77
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 101297342?
The IUPAC name of CID 101297342 (CID 101297342) is not available.
What is the SMILES notation for CID 101297342?
The canonical SMILES for CID 101297342 is Cc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.Cc1cccc(C(=O)[O-])c1.[Pb].
What is the InChIKey of CID 101297342?
The InChIKey is CRSBNCOFLLZQQO-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H8O2.Pb/c4*1-6-3-2-4-7(5-6)8(9)10;/h4*2-5H,1H3,(H,9,10);/p-4.
What are the key properties of CID 101297342?
CID 101297342 has a molecular weight of 747.77 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101297342 is sourced from PubChem (CID 101297342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).