1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine

C26H31NSi — CID 10937898

IUPAC1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine
SMILESCC(C)[Si](C#C/C(=N\C#Cc1ccccc1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H31NSi/c1-21(2)28(22(3)4,23(5)6)20-18-26(25-15-11-8-12-16-25)27-19-17-24-13-9-7-10-14-24/h7-16,21-23H,1-6H3/b27-26+
InChIKeyRRMMAICOPSHCMA-CYYJNZCTSA-N
MW385.63 g/mol
LogP6.71
Rot. Bonds4

About 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine

1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine (PubChem CID 10937898) has the molecular formula C26H31NSi and a molecular weight of 385.63 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine
PubChem CID10937898
Molecular FormulaC26H31NSi
Molecular Weight385.63 g/mol
Exact Mass385.22
IUPAC Name1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine
SMILESCC(C)[Si](C#C/C(=N\C#Cc1ccccc1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H31NSi/c1-21(2)28(22(3)4,23(5)6)20-18-26(25-15-11-8-12-16-25)27-19-17-24-13-9-7-10-14-24/h7-16,21-23H,1-6H3/b27-26+
InChIKeyRRMMAICOPSHCMA-CYYJNZCTSA-N
XLogP6.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.63
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-4,5-diphenyl-2h-imidazole
CID 247140
Benzhydrylidene methylamine
CID 576539
2-Propanamine, N-(diphenylmethylene)-2-methyl-
CID 613754
N-tert-butyl-1-(2-fluorophenyl)-3-phenylprop-2-yn-1-imine
CID 135032945
1,1-Diphenyl-N-(trimethylsilyl)methanimine
CID 4550467
(E)-1-phenyl-N-trimethylsilylethanimine
CID 11355979
N-(Diphenylmethylene)-1-butanamine
CID 13467390
1,1-Diphenyl-N-propylmethanimine
CID 13467391
(NZ)-N-(1-phenyl-3-trimethylsilylprop-2-ynylidene)hydroxylamine
CID 140707801
N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine
CID 129034287
N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine
CID 10758082
1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine
CID 10977264

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine?
The IUPAC name of 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine (CID 10937898) is 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine.
What is the SMILES notation for 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine?
The canonical SMILES for 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine is CC(C)[Si](C#C/C(=N\C#Cc1ccccc1)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine?
The InChIKey is RRMMAICOPSHCMA-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H31NSi/c1-21(2)28(22(3)4,23(5)6)20-18-26(25-15-11-8-12-16-25)27-19-17-24-13-9-7-10-14-24/h7-16,21-23H,1-6H3/b27-26+.
What are the key properties of 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine?
1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine has a molecular weight of 385.63 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylethynyl)-3-tri(propan-2-yl)silylprop-2-yn-1-imine is sourced from PubChem (CID 10937898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).