bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate

C46H24Cl2F2N8O4Pb — CID 139207441

IUPACbis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate
SMILESFc1cccc(Cl)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Fc1cccc(Cl)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.O=C([O-])c1ccc(C(=O)[O-])cc1.[Pb+2]
InChIInChI=1S/2C19H10ClFN4.C8H6O4.Pb/c2*20-12-6-1-7-13(21)14(12)19-24-17-10-4-2-8-22-15(10)16-11(18(17)25-19)5-3-9-23-16;9-7(10)5-1-2-6(4-3-5)8(11)12;/h2*1-9H,(H,24,25);1-4H,(H,9,10)(H,11,12);/q;;;+2/p-2
InChIKeyFJEVTAFDYQCMGQ-UHFFFAOYSA-L
MW1068.85 g/mol
LogP8.27
Rot. Bonds4

About bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate

bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate (PubChem CID 139207441) has the molecular formula C46H24Cl2F2N8O4Pb and a molecular weight of 1068.85 g/mol. Its IUPAC name is bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate.

Molecular Properties

Compound Namebis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate
PubChem CID139207441
Molecular FormulaC46H24Cl2F2N8O4Pb
Molecular Weight1068.85 g/mol
Exact Mass1068.10
IUPAC Namebis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate
SMILESFc1cccc(Cl)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Fc1cccc(Cl)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.O=C([O-])c1ccc(C(=O)[O-])cc1.[Pb+2]
InChIInChI=1S/2C19H10ClFN4.C8H6O4.Pb/c2*20-12-6-1-7-13(21)14(12)19-24-17-10-4-2-8-22-15(10)16-11(18(17)25-19)5-3-9-23-16;9-7(10)5-1-2-6(4-3-5)8(11)12;/h2*1-9H,(H,24,25);1-4H,(H,9,10)(H,11,12);/q;;;+2/p-2
InChIKeyFJEVTAFDYQCMGQ-UHFFFAOYSA-L
XLogP8.27
TPSA189.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.85
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate?
The IUPAC name of bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate (CID 139207441) is bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate.
What is the SMILES notation for bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate?
The canonical SMILES for bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate is Fc1cccc(Cl)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Fc1cccc(Cl)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.O=C([O-])c1ccc(C(=O)[O-])cc1.[Pb+2].
What is the InChIKey of bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate?
The InChIKey is FJEVTAFDYQCMGQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H10ClFN4.C8H6O4.Pb/c2*20-12-6-1-7-13(21)14(12)19-24-17-10-4-2-8-22-15(10)16-11(18(17)25-19)5-3-9-23-16;9-7(10)5-1-2-6(4-3-5)8(11)12;/h2*1-9H,(H,24,25);1-4H,(H,9,10)(H,11,12);/q;;;+2/p-2.
What are the key properties of bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate?
bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate has a molecular weight of 1068.85 g/mol, XLogP of 8.27, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);lead(2+);terephthalate is sourced from PubChem (CID 139207441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).