2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide

C85H73I2N13O4U2 — CID 139171053

About 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide

2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide (PubChem CID 139171053) has the molecular formula C85H73I2N13O4U2 and a molecular weight of 2070.47 g/mol. Its IUPAC name is 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide.

Molecular Properties

• Compound Name: 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide
• PubChem CID: 139171053
• Molecular Formula: C85H73I2N13O4U2
• Molecular Weight: 2070.47 g/mol
• Exact Mass: 2069.50
• IUPAC Name: 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide
• SMILES: [I-].[I-].[O-]c1ccccc1/C=N\c1ccccc1[N-][C@H](c1ccccc1[O-])[C@@H]([N-]c1ccccc1/N=C\c1ccccc1[O-])c1ccccc1[O-].[U+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C40H32N4O4.9C5H5N.2HI.2U/c45-35-21-9-1-13-27(35)25-41-31-17-5-7-19-33(31)43-39(29-15-3-11-23-37(29)47)40(30-16-4-12-24-38(30)48)44-34-20-8-6-18-32(34)42-26-28-14-2-10-22-36(28)46;9*1-2-4-6-5-3-1;;;;/h1-26,39-40,47-48H,(H,41,45)(H,42,46);9*1-5H;2*1H;;/q-2;;;;;;;;;;;;2*+4/p-6/t39-,40+
• InChIKey: CHOXPJPWJQDDAN-OOCBSPRLSA-H
• XLogP: 11.42
• TPSA: 261.17 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.47
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide?

The IUPAC name of 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide (CID 139171053) is 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide.

What is the SMILES notation for 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide?

The canonical SMILES for 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide is [I-].[I-].[O-]c1ccccc1/C=N\c1ccccc1[N-][C@H](c1ccccc1[O-])[C@@H]([N-]c1ccccc1/N=C\c1ccccc1[O-])c1ccccc1[O-].[U+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide?

The InChIKey is CHOXPJPWJQDDAN-OOCBSPRLSA-H. The full InChI is InChI=1S/C40H32N4O4.9C5H5N.2HI.2U/c45-35-21-9-1-13-27(35)25-41-31-17-5-7-19-33(31)43-39(29-15-3-11-23-37(29)47)40(30-16-4-12-24-38(30)48)44-34-20-8-6-18-32(34)42-26-28-14-2-10-22-36(28)46;9*1-2-4-6-5-3-1;;;;/h1-26,39-40,47-48H,(H,41,45)(H,42,46);9*1-5H;2*1H;;/q-2;;;;;;;;;;;;2*+4/p-6/t39-,40+;;;;;;;;;;;;;.

What are the key properties of 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide?

2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide has a molecular weight of 2070.47 g/mol, XLogP of 11.42, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide is sourced from PubChem (CID 139171053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).