sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)

C64H36N8NaO8Yb — CID 139126968

IUPACsodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)
SMILES[Na+].[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[Yb+3]
InChIInChI=1S/4C16H10N2O2.Na.Yb/c4*19-13-6-3-4-10-8-9-12(17-15(10)13)16-18-11-5-1-2-7-14(11)20-16;;/h4*1-9,19H;;/q;;;;+1;+3/p-4
InChIKeyRKGMIBQVKKAASB-UHFFFAOYSA-J
MW1241.07 g/mol
LogP9.47
Rot. Bonds4

About sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)

sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+) (PubChem CID 139126968) has the molecular formula C64H36N8NaO8Yb and a molecular weight of 1241.07 g/mol. Its IUPAC name is sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+).

Molecular Properties

Compound Namesodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)
PubChem CID139126968
Molecular FormulaC64H36N8NaO8Yb
Molecular Weight1241.07 g/mol
Exact Mass1241.19
IUPAC Namesodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)
SMILES[Na+].[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[Yb+3]
InChIInChI=1S/4C16H10N2O2.Na.Yb/c4*19-13-6-3-4-10-8-9-12(17-15(10)13)16-18-11-5-1-2-7-14(11)20-16;;/h4*1-9,19H;;/q;;;;+1;+3/p-4
InChIKeyRKGMIBQVKKAASB-UHFFFAOYSA-J
XLogP9.47
TPSA247.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.07
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole
CID 122578278
CID 139174937
CID 139174937
2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol
CID 136845184
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
5-methyl-2-(1,10-phenanthrolin-2-yl)-1,3-benzoxazole
CID 102035737
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
2-[9-(1,3-benzoxazol-2-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-1,3-benzoxazole
CID 148810325
2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
CID 169047262
2-anthracen-9-yl-1,3-benzoxazole
CID 59439667
2-pyridin-4-yl-1,3-benzoxazole
CID 16804

Frequently Asked Questions

What is the IUPAC name of sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)?
The IUPAC name of sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+) (CID 139126968) is sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+).
What is the SMILES notation for sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)?
The canonical SMILES for sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+) is [Na+].[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[O-]c1cccc2ccc(-c3nc4ccccc4o3)nc12.[Yb+3].
What is the InChIKey of sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)?
The InChIKey is RKGMIBQVKKAASB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H10N2O2.Na.Yb/c4*19-13-6-3-4-10-8-9-12(17-15(10)13)16-18-11-5-1-2-7-14(11)20-16;;/h4*1-9,19H;;/q;;;;+1;+3/p-4.
What are the key properties of sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)?
sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+) has a molecular weight of 1241.07 g/mol, XLogP of 9.47, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+) is sourced from PubChem (CID 139126968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).