benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium

C102H144N6O8U2-10 — CID 139123345

About benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium

benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium (PubChem CID 139123345) has the molecular formula C102H144N6O8U2-10 and a molecular weight of 2058.37 g/mol. Its IUPAC name is benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium.

Molecular Properties

• Compound Name: benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium
• PubChem CID: 139123345
• Molecular Formula: C102H144N6O8U2-10
• Molecular Weight: 2058.37 g/mol
• Exact Mass: 2057.21
• IUPAC Name: benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium
• SMILES: Cc1cc(CN2CCN(Cc3cc(C)cc(CC(C)(C)C)c3[O-])CCN(Cc3cc(C)cc(CC(C)(C)C)c3[O-])CC2)c([O-])c(CC(C)(C)C)c1.Cc1cc(CN2CCN(Cc3cc(C)cc(CC(C)(C)C)c3[O-])CCN(Cc3cc(C)cc(CC(C)(C)C)c3[O-])CC2)c([O-])c(CC(C)(C)C)c1.[O-2].[O-2].[U].[U].c1ccccc1.c1ccccc1
• InChI: InChI=1S/2C45H69N3O3.2C6H6.2O.2U/c2*1-31-19-34(25-43(4,5)6)40(49)37(22-31)28-46-13-15-47(29-38-23-32(2)20-35(41(38)50)26-44(7,8)9)17-18-48(16-14-46)30-39-24-33(3)21-36(42(39)51)27-45(10,11)12;2*1-2-4-6-5-3-1;;;;/h2*19-24,49-51H,13-18,25-30H2,1-12H3;2*1-6H;;;;/q;;;;2*-2;;/p-6
• InChIKey: WLDNKLLZCOYHRC-UHFFFAOYSA-H
• XLogP: 17.97
• TPSA: 214.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.37
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium?

The IUPAC name of benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium (CID 139123345) is benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium.

What is the SMILES notation for benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium?

The canonical SMILES for benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium is Cc1cc(CN2CCN(Cc3cc(C)cc(CC(C)(C)C)c3[O-])CCN(Cc3cc(C)cc(CC(C)(C)C)c3[O-])CC2)c([O-])c(CC(C)(C)C)c1.Cc1cc(CN2CCN(Cc3cc(C)cc(CC(C)(C)C)c3[O-])CCN(Cc3cc(C)cc(CC(C)(C)C)c3[O-])CC2)c([O-])c(CC(C)(C)C)c1.[O-2].[O-2].[U].[U].c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium?

The InChIKey is WLDNKLLZCOYHRC-UHFFFAOYSA-H. The full InChI is InChI=1S/2C45H69N3O3.2C6H6.2O.2U/c2*1-31-19-34(25-43(4,5)6)40(49)37(22-31)28-46-13-15-47(29-38-23-32(2)20-35(41(38)50)26-44(7,8)9)17-18-48(16-14-46)30-39-24-33(3)21-36(42(39)51)27-45(10,11)12;2*1-2-4-6-5-3-1;;;;/h2*19-24,49-51H,13-18,25-30H2,1-12H3;2*1-6H;;;;/q;;;;2*-2;;/p-6.

What are the key properties of benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium?

benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium has a molecular weight of 2058.37 g/mol, XLogP of 17.97, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);bis(oxygen(2-));uranium is sourced from PubChem (CID 139123345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).