bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)

C82H98N4OYb — CID 11309408

About bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)

bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+) (PubChem CID 11309408) has the molecular formula C82H98N4OYb and a molecular weight of 1328.75 g/mol. Its IUPAC name is bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+).

Molecular Properties

• Compound Name: bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)
• PubChem CID: 11309408
• Molecular Formula: C82H98N4OYb
• Molecular Weight: 1328.75 g/mol
• Exact Mass: 1328.71
• IUPAC Name: bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)
• SMILES: C1CCOC1.CC(C)c1cccc(C(C)C)c1[N-]C(CNc1c(C(C)C)cccc1C(C)C)=C1c2ccccc2-c2ccccc21.CC(C)c1cccc(C(C)C)c1[N-]C(CNc1c(C(C)C)cccc1C(C)C)=C1c2ccccc2-c2ccccc21.[Yb+2]
• InChI: InChI=1S/2C39H45N2.C4H8O.Yb/c2*1-24(2)28-19-13-20-29(25(3)4)38(28)40-23-36(41-39-30(26(5)6)21-14-22-31(39)27(7)8)37-34-17-11-9-15-32(34)33-16-10-12-18-35(33)37;1-2-4-5-3-1;/h2*9-22,24-27,40H,23H2,1-8H3;1-4H2;/q2*-1;;+2
• InChIKey: BBILGVPFEUAOGY-UHFFFAOYSA-N
• XLogP: 24.27
• TPSA: 61.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1328.75
LogP ≤ 5	24.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)?

The IUPAC name of bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+) (CID 11309408) is bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+).

What is the SMILES notation for bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)?

The canonical SMILES for bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+) is C1CCOC1.CC(C)c1cccc(C(C)C)c1[N-]C(CNc1c(C(C)C)cccc1C(C)C)=C1c2ccccc2-c2ccccc21.CC(C)c1cccc(C(C)C)c1[N-]C(CNc1c(C(C)C)cccc1C(C)C)=C1c2ccccc2-c2ccccc21.[Yb+2].

What is the InChIKey of bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)?

The InChIKey is BBILGVPFEUAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H45N2.C4H8O.Yb/c2*1-24(2)28-19-13-20-29(25(3)4)38(28)40-23-36(41-39-30(26(5)6)21-14-22-31(39)27(7)8)37-34-17-11-9-15-32(34)33-16-10-12-18-35(33)37;1-2-4-5-3-1;/h2*9-22,24-27,40H,23H2,1-8H3;1-4H2;/q2*-1;;+2.

What are the key properties of bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+)?

bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+) has a molecular weight of 1328.75 g/mol, XLogP of 24.27, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis([2-[2,6-di(propan-2-yl)anilino]-1-fluoren-9-ylideneethyl]-[2,6-di(propan-2-yl)phenyl]azanide);oxolane;ytterbium(2+) is sourced from PubChem (CID 11309408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).