CID 169131157

C46H47N2O2Pb2+ — CID 169131157

About CID 169131157

CID 169131157 (PubChem CID 169131157) has the molecular formula C46H47N2O2Pb2+ and a molecular weight of 1074.29 g/mol.

Molecular Properties

• Compound Name: CID 169131157
• PubChem CID: 169131157
• Molecular Formula: C46H47N2O2Pb2+
• Molecular Weight: 1074.29 g/mol
• Exact Mass: 1075.32
• IUPAC Name: —
• SMILES: [OH2+]c1c(C(=C\C[Pb])/C=C/C2=C(c3ccccc3)/C(=C/C=C3\C=C([Pb])Oc4c3cc3c5c4CCCN5CCC3)CCC2)cc2c3c1CCCN3CCC2
• InChI: InChI=1S/C46H46N2O2.2Pb/c1-2-31(40-29-36-15-7-24-47-26-9-17-38(43(36)47)45(40)49)19-21-34-13-6-14-35(42(34)33-11-4-3-5-12-33)22-20-32-23-28-50-46-39-18-10-27-48-25-8-16-37(44(39)48)30-41(32)46;;/h2-5,11-12,19-23,29-30,49H,1,6-10,13-18,24-27H2;;/p+1/b21-19+,31-2-,32-20+,35-22+
• InChIKey: IDHNFGRZEBCFTM-LIPSWWMFSA-O
• XLogP: 9.10
• TPSA: 38.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.29
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 169131157?

The IUPAC name of CID 169131157 (CID 169131157) is not available.

What is the SMILES notation for CID 169131157?

The canonical SMILES for CID 169131157 is [OH2+]c1c(C(=C\C[Pb])/C=C/C2=C(c3ccccc3)/C(=C/C=C3\C=C([Pb])Oc4c3cc3c5c4CCCN5CCC3)CCC2)cc2c3c1CCCN3CCC2.

What is the InChIKey of CID 169131157?

The InChIKey is IDHNFGRZEBCFTM-LIPSWWMFSA-O. The full InChI is InChI=1S/C46H46N2O2.2Pb/c1-2-31(40-29-36-15-7-24-47-26-9-17-38(43(36)47)45(40)49)19-21-34-13-6-14-35(42(34)33-11-4-3-5-12-33)22-20-32-23-28-50-46-39-18-10-27-48-25-8-16-37(44(39)48)30-41(32)46;;/h2-5,11-12,19-23,29-30,49H,1,6-10,13-18,24-27H2;;/p+1/b21-19+,31-2-,32-20+,35-22+;;.

What are the key properties of CID 169131157?

CID 169131157 has a molecular weight of 1074.29 g/mol, XLogP of 9.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 169131157 is sourced from PubChem (CID 169131157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).