(1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine

C28H35NOSi2 — CID 12023313

IUPAC(1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine
SMILESC[Si](C)(C)N/C(=C\C(O[Si](C)(C)C)=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NOSi2/c1-31(2,3)29-26(23-16-10-7-11-17-23)22-27(30-32(4,5)6)28(24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-22,29H,1-6H3/b26-22-
InChIKeyIDPCXPUNKPSDJJ-ROMGYVFFSA-N
MW457.77 g/mol
LogP7.76
Rot. Bonds8

About (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine

(1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine (PubChem CID 12023313) has the molecular formula C28H35NOSi2 and a molecular weight of 457.77 g/mol. Its IUPAC name is (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine
PubChem CID12023313
Molecular FormulaC28H35NOSi2
Molecular Weight457.77 g/mol
Exact Mass457.23
IUPAC Name(1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine
SMILESC[Si](C)(C)N/C(=C\C(O[Si](C)(C)C)=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NOSi2/c1-31(2,3)29-26(23-16-10-7-11-17-23)22-27(30-32(4,5)6)28(24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-22,29H,1-6H3/b26-22-
InChIKeyIDPCXPUNKPSDJJ-ROMGYVFFSA-N
XLogP7.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.77
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile
CID 12921434
CID 67882804
CID 67882804
(Z)-3-(methylamino)-3-phenylprop-2-enoic acid
CID 69082862
trimethyl-(4-phenyl-4-trimethylsilylbuta-2,3-dien-2-yl)oxysilane
CID 102523679
[(E)-2-chloro-1-phenylprop-1-enoxy]-trimethylsilane
CID 11172518
tert-butyl (E)-3-pyridin-4-yl-3-(trimethylsilylamino)prop-2-enoate
CID 14343447
dimethyl-phenyl-[(1Z)-3-phenyl-1-trimethylsilyloxybuta-1,3-dienyl]silane
CID 101122048
trimethyl-[(E)-1-phenyl-2-phenylselanylethenoxy]silane
CID 11759796
[(1Z)-1-ethoxy-3-phenylbuta-1,3-dienoxy]-trimethylsilane
CID 177433215
tetrakis(pyridine);1,2,2-triphenylethenylbenzene
CID 175604996
(E)-1-phenyl-N-trimethylsilyloxyethanimine
CID 5352994
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
CID 10822185

Frequently Asked Questions

What is the IUPAC name of (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine (CID 12023313) is (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine is C[Si](C)(C)N/C(=C\C(O[Si](C)(C)C)=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine?
The InChIKey is IDPCXPUNKPSDJJ-ROMGYVFFSA-N. The full InChI is InChI=1S/C28H35NOSi2/c1-31(2,3)29-26(23-16-10-7-11-17-23)22-27(30-32(4,5)6)28(24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-22,29H,1-6H3/b26-22-.
What are the key properties of (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine?
(1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine has a molecular weight of 457.77 g/mol, XLogP of 7.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine is sourced from PubChem (CID 12023313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).