[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)

C43H58N3OSi3Zr — CID 11468481

IUPAC[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)
SMILESC[C@H](O)c1ccc2ccccc2c1.C[C@H]([N-][Si](C)(C)C([Si](C)(C)[N-][C@@H](C)c1ccccc1)[Si](C)(C)[N-][C@@H](C)c1ccccc1)c1ccccc1.[Zr+3]
InChIInChI=1S/C31H46N3Si3.C12H12O.Zr/c1-25(28-19-13-10-14-20-28)32-35(4,5)31(36(6,7)33-26(2)29-21-15-11-16-22-29)37(8,9)34-27(3)30-23-17-12-18-24-30;1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;/h10-27,31H,1-9H3;2-9,13H,1H3;/q-3;;+3/t25-,26-,27-;9-;/m00./s1
InChIKeyYABRONJAKBYJJC-YPJXGHHGSA-N
MW808.44 g/mol
LogP13.35
Rot. Bonds13

About [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)

[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+) (PubChem CID 11468481) has the molecular formula C43H58N3OSi3Zr and a molecular weight of 808.44 g/mol. Its IUPAC name is [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+).

Molecular Properties

Compound Name[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)
PubChem CID11468481
Molecular FormulaC43H58N3OSi3Zr
Molecular Weight808.44 g/mol
Exact Mass806.29
IUPAC Name[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)
SMILESC[C@H](O)c1ccc2ccccc2c1.C[C@H]([N-][Si](C)(C)C([Si](C)(C)[N-][C@@H](C)c1ccccc1)[Si](C)(C)[N-][C@@H](C)c1ccccc1)c1ccccc1.[Zr+3]
InChIInChI=1S/C31H46N3Si3.C12H12O.Zr/c1-25(28-19-13-10-14-20-28)32-35(4,5)31(36(6,7)33-26(2)29-21-15-11-16-22-29)37(8,9)34-27(3)30-23-17-12-18-24-30;1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;/h10-27,31H,1-9H3;2-9,13H,1H3;/q-3;;+3/t25-,26-,27-;9-;/m00./s1
InChIKeyYABRONJAKBYJJC-YPJXGHHGSA-N
XLogP13.35
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.44
LogP ≤ 513.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+) with MolForge

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Related Compounds

[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)
CID 11433734
hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene;tris(1-naphthalen-2-ylethanol)
CID 159676539
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
1-naphthalen-2-ylethanamine
CID 3857145
amino(naphthalen-2-yl)methanol
CID 57110079
(1S)-1-naphthalen-2-yl-3-trimethylsilylprop-2-yn-1-ol
CID 24851555
naphthalen-2-ylmethanediol
CID 22496827
ethane;2-propan-2-ylnaphthalene
CID 142226111
(1S)-1-phenylethanol
CID 157125626
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 10709738

Frequently Asked Questions

What is the IUPAC name of [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)?
The IUPAC name of [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+) (CID 11468481) is [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+).
What is the SMILES notation for [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)?
The canonical SMILES for [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+) is C[C@H](O)c1ccc2ccccc2c1.C[C@H]([N-][Si](C)(C)C([Si](C)(C)[N-][C@@H](C)c1ccccc1)[Si](C)(C)[N-][C@@H](C)c1ccccc1)c1ccccc1.[Zr+3].
What is the InChIKey of [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)?
The InChIKey is YABRONJAKBYJJC-YPJXGHHGSA-N. The full InChI is InChI=1S/C31H46N3Si3.C12H12O.Zr/c1-25(28-19-13-10-14-20-28)32-35(4,5)31(36(6,7)33-26(2)29-21-15-11-16-22-29)37(8,9)34-27(3)30-23-17-12-18-24-30;1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;/h10-27,31H,1-9H3;2-9,13H,1H3;/q-3;;+3/t25-,26-,27-;9-;/m00./s1.
What are the key properties of [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+)?
[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+) has a molecular weight of 808.44 g/mol, XLogP of 13.35, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;(1S)-1-naphthalen-2-ylethanol;zirconium(3+) is sourced from PubChem (CID 11468481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).