2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+)

C46H57N2OU — CID 139112216

About 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+)

2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+) (PubChem CID 139112216) has the molecular formula C46H57N2OU and a molecular weight of 892.00 g/mol. Its IUPAC name is 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+).

Molecular Properties

• Compound Name: 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+)
• PubChem CID: 139112216
• Molecular Formula: C46H57N2OU
• Molecular Weight: 892.00 g/mol
• Exact Mass: 891.50
• IUPAC Name: 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+)
• SMILES: CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC1(C)c2cccc(c2)C(C)(C)c2ccc([n-]2)C(C)(C)c2cccc(c2)C(C)(C)c2ccc1[n-]2.[U+3]
• InChI: InChI=1S/C32H36N2.C14H22O.U/c1-29(2)21-11-9-12-22(19-21)30(3,4)27-17-18-28(34-27)32(7,8)24-14-10-13-23(20-24)31(5,6)26-16-15-25(29)33-26;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;/h9-20H,1-8H3;7-9,15H,1-6H3;/q-2;;+3/p-1
• InChIKey: DXKSEEGRBKXOBL-UHFFFAOYSA-M
• XLogP: 10.57
• TPSA: 51.26 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.00
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+)?

The IUPAC name of 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+) (CID 139112216) is 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+).

What is the SMILES notation for 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+)?

The canonical SMILES for 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+) is CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC1(C)c2cccc(c2)C(C)(C)c2ccc([n-]2)C(C)(C)c2cccc(c2)C(C)(C)c2ccc1[n-]2.[U+3].

What is the InChIKey of 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+)?

The InChIKey is DXKSEEGRBKXOBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H36N2.C14H22O.U/c1-29(2)21-11-9-12-22(19-21)30(3,4)27-17-18-28(34-27)32(7,8)24-14-10-13-23(20-24)31(5,6)26-16-15-25(29)33-26;1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;/h9-20H,1-8H3;7-9,15H,1-6H3;/q-2;;+3/p-1.

What are the key properties of 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+)?

2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+) has a molecular weight of 892.00 g/mol, XLogP of 10.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butylphenolate;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;uranium(3+) is sourced from PubChem (CID 139112216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).