[(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane

C24H38N2OSi2 — CID 134984305

IUPAC[(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane
SMILESCOc1ccc([C@H]2CC3=C(C)C(C)(C)[C@H]4C([Si](C)(C)C)=C([Si](C)(C)C)N2N34)cc1
InChIInChI=1S/C24H38N2OSi2/c1-16-19-15-20(17-11-13-18(27-4)14-12-17)26-23(29(8,9)10)21(28(5,6)7)22(25(19)26)24(16,2)3/h11-14,20,22H,15H2,1-10H3/t20-,22-/m1/s1
InChIKeyMPSLVMYSQBRRHI-IFMALSPDSA-N
MW426.75 g/mol
LogP6.36
Rot. Bonds4

About [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane

[(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane (PubChem CID 134984305) has the molecular formula C24H38N2OSi2 and a molecular weight of 426.75 g/mol. Its IUPAC name is [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane
PubChem CID134984305
Molecular FormulaC24H38N2OSi2
Molecular Weight426.75 g/mol
Exact Mass426.25
IUPAC Name[(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane
SMILESCOc1ccc([C@H]2CC3=C(C)C(C)(C)[C@H]4C([Si](C)(C)C)=C([Si](C)(C)C)N2N34)cc1
InChIInChI=1S/C24H38N2OSi2/c1-16-19-15-20(17-11-13-18(27-4)14-12-17)26-23(29(8,9)10)21(28(5,6)7)22(25(19)26)24(16,2)3/h11-14,20,22H,15H2,1-10H3/t20-,22-/m1/s1
InChIKeyMPSLVMYSQBRRHI-IFMALSPDSA-N
XLogP6.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.75
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane with MolForge

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Related Compounds

ethyl (4S,9S)-9-(4-methoxyphenyl)-5,5,6-trimethyl-3-(trifluoromethyl)-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-diene-2-carboxylate
CID 102207249
(2R,6R)-2,6-bis(4-methoxyphenyl)-3,3-dimethyl-4-oxopiperidine-1-carbaldehyde
CID 139076255
3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
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5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole
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(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
(4S)-4-(4-methoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
CID 124525058
(4R)-4-(4-methoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
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N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine
CID 101045950
2-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 94447514
3-(4-methoxyphenyl)-2-methyl-5-pyridin-4-yl-1,2-oxazolidine
CID 141109770
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800

Frequently Asked Questions

What is the IUPAC name of [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane?
The IUPAC name of [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane (CID 134984305) is [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane.
What is the SMILES notation for [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane?
The canonical SMILES for [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane is COc1ccc([C@H]2CC3=C(C)C(C)(C)[C@H]4C([Si](C)(C)C)=C([Si](C)(C)C)N2N34)cc1.
What is the InChIKey of [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane?
The InChIKey is MPSLVMYSQBRRHI-IFMALSPDSA-N. The full InChI is InChI=1S/C24H38N2OSi2/c1-16-19-15-20(17-11-13-18(27-4)14-12-17)26-23(29(8,9)10)21(28(5,6)7)22(25(19)26)24(16,2)3/h11-14,20,22H,15H2,1-10H3/t20-,22-/m1/s1.
What are the key properties of [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane?
[(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane has a molecular weight of 426.75 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,9R)-9-(4-methoxyphenyl)-5,5,6-trimethyl-2-trimethylsilyl-1,10-diazatricyclo[5.2.1.04,10]deca-2,6-dien-3-yl]-trimethylsilane is sourced from PubChem (CID 134984305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).