trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane

C27H29NOSi — CID 10501789

IUPACtrimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane
SMILESC[Si](C)(C)O/C(=C1/C[C@@H]2[C@H](C1)C2(c1ccccc1)c1ccccn1)c1ccccc1
InChIInChI=1S/C27H29NOSi/c1-30(2,3)29-26(20-12-6-4-7-13-20)21-18-23-24(19-21)27(23,22-14-8-5-9-15-22)25-16-10-11-17-28-25/h4-17,23-24H,18-19H2,1-3H3/b26-21-/t23-,24+,27?/m1/s1
InChIKeyMQFZVQHGMGQCEV-GBGYPCDPSA-N
MW411.62 g/mol
LogP6.67
Rot. Bonds5

About trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane

trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane (PubChem CID 10501789) has the molecular formula C27H29NOSi and a molecular weight of 411.62 g/mol. Its IUPAC name is trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane.

Molecular Properties

Compound Nametrimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane
PubChem CID10501789
Molecular FormulaC27H29NOSi
Molecular Weight411.62 g/mol
Exact Mass411.20
IUPAC Nametrimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane
SMILESC[Si](C)(C)O/C(=C1/C[C@@H]2[C@H](C1)C2(c1ccccc1)c1ccccn1)c1ccccc1
InChIInChI=1S/C27H29NOSi/c1-30(2,3)29-26(20-12-6-4-7-13-20)21-18-23-24(19-21)27(23,22-14-8-5-9-15-22)25-16-10-11-17-28-25/h4-17,23-24H,18-19H2,1-3H3/b26-21-/t23-,24+,27?/m1/s1
InChIKeyMQFZVQHGMGQCEV-GBGYPCDPSA-N
XLogP6.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 56.67
H-Bond Donors ≤ 50
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'}

Analyze trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane with MolForge

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Related Compounds

(1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile
CID 10491595
(NE)-N-[(1R,4S,7S)-7-phenyl-7-pyridin-2-yl-2-bicyclo[2.2.1]hept-5-enylidene]hydroxylamine
CID 11011259
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
trimethyl(1-pyridin-2-ylethenoxy)silane
CID 13033707
phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone
CID 67898559
(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane
CID 159886663
(3-phenyl-1-pyridin-2-ylcyclobutyl)methanamine
CID 80521414
[(E)-2-chloro-1-phenylprop-1-enoxy]-trimethylsilane
CID 11172518
[1-(aminomethyl)-2-methyl-2-pyridin-2-ylcyclopropyl]methanol
CID 63042187
5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol
CID 15734054
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
methyl 4-pyridin-2-ylcubane-1-carboxylate
CID 166636836

Frequently Asked Questions

What is the IUPAC name of trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane?
The IUPAC name of trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane (CID 10501789) is trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane.
What is the SMILES notation for trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane?
The canonical SMILES for trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane is C[Si](C)(C)O/C(=C1/C[C@@H]2[C@H](C1)C2(c1ccccc1)c1ccccn1)c1ccccc1.
What is the InChIKey of trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane?
The InChIKey is MQFZVQHGMGQCEV-GBGYPCDPSA-N. The full InChI is InChI=1S/C27H29NOSi/c1-30(2,3)29-26(20-12-6-4-7-13-20)21-18-23-24(19-21)27(23,22-14-8-5-9-15-22)25-16-10-11-17-28-25/h4-17,23-24H,18-19H2,1-3H3/b26-21-/t23-,24+,27?/m1/s1.
What are the key properties of trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane?
trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane has a molecular weight of 411.62 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[phenyl-[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanylidene]methoxy]silane is sourced from PubChem (CID 10501789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).