oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))

C64H80N8O3Yb4 — CID 139106208

IUPACoxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))
SMILESC1CCOC1.C1CCOC1.[O-2].[Yb+2].[Yb+2].[Yb+3].[Yb+3].c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1
InChIInChI=1S/4C14H16N2.2C4H8O.O.4Yb/c4*1-2-8-14(9-3-1,12-6-4-10-15-12)13-7-5-11-16-13;2*1-2-4-5-3-1;;;;;/h4*4-7,10-11H,1-3,8-9H2;2*1-4H2;;;;;/q4*-2;;;-2;2*+2;2*+3
InChIKeyLCGCODZPRPBKSN-UHFFFAOYSA-N
MW1701.56 g/mol
LogP12.88
Rot. Bonds8

About oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))

oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+)) (PubChem CID 139106208) has the molecular formula C64H80N8O3Yb4 and a molecular weight of 1701.56 g/mol. Its IUPAC name is oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+)).

Molecular Properties

Compound Nameoxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))
PubChem CID139106208
Molecular FormulaC64H80N8O3Yb4
Molecular Weight1701.56 g/mol
Exact Mass1704.39
IUPAC Nameoxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))
SMILESC1CCOC1.C1CCOC1.[O-2].[Yb+2].[Yb+2].[Yb+3].[Yb+3].c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1
InChIInChI=1S/4C14H16N2.2C4H8O.O.4Yb/c4*1-2-8-14(9-3-1,12-6-4-10-15-12)13-7-5-11-16-13;2*1-2-4-5-3-1;;;;;/h4*4-7,10-11H,1-3,8-9H2;2*1-4H2;;;;;/q4*-2;;;-2;2*+2;2*+3
InChIKeyLCGCODZPRPBKSN-UHFFFAOYSA-N
XLogP12.88
TPSA159.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001701.56
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)
CID 139106207
Bis(2-[di(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);bis(niobium(3+));oxolane
CID 139106666
5,5,10,10,15,15,20,20-Octaethylporphyrin-21,22,23,24-tetraide;oxolane;bis(ytterbium(2+))
CID 139107017
Bis(5,5,10,10,15,15,20,20-octaethylporphyrin-21,22,23,24-tetraide);oxolane;bis(oxygen(2-));toluene;tetrakis(ytterbium(3+))
CID 139107018
bis((1S)-5,5,10,10,15,15,20,20-octamethyl-1H-porphyrin-22,23,24-triide);oxygen(2-);bis(zirconium(4+))
CID 139151273
Bis(5,5,10,10,15,15,20,20-octaethylporphyrin-21,22,23,24-tetraide);oxolane;bis(oxygen(2-));tetrakis(samarium(3+));toluene
CID 168343220
Sodium;5,5,10,10,15,15,20,20-octaethylporphyrin-21,22,23,24-tetraide;oxolane;praseodymium(3+)
CID 139134645

Frequently Asked Questions

What is the IUPAC name of oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))?
The IUPAC name of oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+)) (CID 139106208) is oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+)).
What is the SMILES notation for oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))?
The canonical SMILES for oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+)) is C1CCOC1.C1CCOC1.[O-2].[Yb+2].[Yb+2].[Yb+3].[Yb+3].c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.c1c[n-]c(C2(c3ccc[n-]3)CCCCC2)c1.
What is the InChIKey of oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))?
The InChIKey is LCGCODZPRPBKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H16N2.2C4H8O.O.4Yb/c4*1-2-8-14(9-3-1,12-6-4-10-15-12)13-7-5-11-16-13;2*1-2-4-5-3-1;;;;;/h4*4-7,10-11H,1-3,8-9H2;2*1-4H2;;;;;/q4*-2;;;-2;2*+2;2*+3.
What are the key properties of oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))?
oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+)) has a molecular weight of 1701.56 g/mol, XLogP of 12.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+)) is sourced from PubChem (CID 139106208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).