bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))

C98H76N8O4U2 — CID 139139742

About bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))

bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+)) (PubChem CID 139139742) has the molecular formula C98H76N8O4U2 and a molecular weight of 1905.80 g/mol. Its IUPAC name is bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+)).

Molecular Properties

• Compound Name: bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))
• PubChem CID: 139139742
• Molecular Formula: C98H76N8O4U2
• Molecular Weight: 1905.80 g/mol
• Exact Mass: 1904.70
• IUPAC Name: bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))
• SMILES: Cc1ccc2cccc([N-][C@@H](c3c([O-])ccc4ccccc34)[C@@H]([N-]c3cccc4ccc(C)nc34)c3c([O-])ccc4ccccc34)c2n1.Cc1ccc2cccc([N-][C@H](c3c([O-])ccc4ccccc34)[C@H]([N-]c3cccc4ccc(C)nc34)c3c([O-])ccc4ccccc34)c2n1.Cc1ccccc1.Cc1ccccc1.[U+4].[U+4]
• InChI: InChI=1S/2C42H32N4O2.2C7H8.2U/c2*1-25-17-19-29-11-7-15-33(39(29)43-25)45-41(37-31-13-5-3-9-27(31)21-23-35(37)47)42(38-32-14-6-4-10-28(32)22-24-36(38)48)46-34-16-8-12-30-20-18-26(2)44-40(30)34;2*1-7-5-3-2-4-6-7;;/h2*3-24,41-42,47-48H,1-2H3;2*2-6H,1H3;;/q2*-2;;;2*+4/p-4/t2*41-,42-;;;;/m10..../s1
• InChIKey: SMLGUGAEVJOAOM-TUPQBQKKSA-J
• XLogP: 24.08
• TPSA: 200.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1905.80
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))?

The IUPAC name of bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+)) (CID 139139742) is bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+)).

What is the SMILES notation for bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))?

The canonical SMILES for bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+)) is Cc1ccc2cccc([N-][C@@H](c3c([O-])ccc4ccccc34)[C@@H]([N-]c3cccc4ccc(C)nc34)c3c([O-])ccc4ccccc34)c2n1.Cc1ccc2cccc([N-][C@H](c3c([O-])ccc4ccccc34)[C@H]([N-]c3cccc4ccc(C)nc34)c3c([O-])ccc4ccccc34)c2n1.Cc1ccccc1.Cc1ccccc1.[U+4].[U+4].

What is the InChIKey of bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))?

The InChIKey is SMLGUGAEVJOAOM-TUPQBQKKSA-J. The full InChI is InChI=1S/2C42H32N4O2.2C7H8.2U/c2*1-25-17-19-29-11-7-15-33(39(29)43-25)45-41(37-31-13-5-3-9-27(31)21-23-35(37)47)42(38-32-14-6-4-10-28(32)22-24-36(38)48)46-34-16-8-12-30-20-18-26(2)44-40(30)34;2*1-7-5-3-2-4-6-7;;/h2*3-24,41-42,47-48H,1-2H3;2*2-6H,1H3;;/q2*-2;;;2*+4/p-4/t2*41-,42-;;;;/m10..../s1.

What are the key properties of bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))?

bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+)) has a molecular weight of 1905.80 g/mol, XLogP of 24.08, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+)) is sourced from PubChem (CID 139139742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).