bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)

C28H22N2O6Pb — CID 139073490

IUPACbis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Pb+2]
InChIInChI=1S/C14H12N2.2C7H6O3.Pb/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*8-6-4-2-1-3-5(6)7(9)10;/h3-8H,1-2H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeySNPCQGQTHSTYLO-UHFFFAOYSA-L
MW689.69 g/mol
LogP3.94
Rot. Bonds2

About bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)

bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+) (PubChem CID 139073490) has the molecular formula C28H22N2O6Pb and a molecular weight of 689.69 g/mol. Its IUPAC name is bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+).

Molecular Properties

Compound Namebis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)
PubChem CID139073490
Molecular FormulaC28H22N2O6Pb
Molecular Weight689.69 g/mol
Exact Mass690.12
IUPAC Namebis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Pb+2]
InChIInChI=1S/C14H12N2.2C7H6O3.Pb/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*8-6-4-2-1-3-5(6)7(9)10;/h3-8H,1-2H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeySNPCQGQTHSTYLO-UHFFFAOYSA-L
XLogP3.94
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500689.69
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)?
The IUPAC name of bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+) (CID 139073490) is bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+).
What is the SMILES notation for bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)?
The canonical SMILES for bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+) is Cc1ccc2ccc3ccc(C)nc3c2n1.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Pb+2].
What is the InChIKey of bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)?
The InChIKey is SNPCQGQTHSTYLO-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12N2.2C7H6O3.Pb/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*8-6-4-2-1-3-5(6)7(9)10;/h3-8H,1-2H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2.
What are the key properties of bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+)?
bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+) has a molecular weight of 689.69 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-carboxyphenolate);2,9-dimethyl-1,10-phenanthroline;lead(2+) is sourced from PubChem (CID 139073490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).