8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium

C41H55NSi — CID 15909450

IUPAC8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.C[Si-]12(c3ccccc3-c3ccccc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C25H19Si.C16H36N/c1-26(22-14-6-2-10-18(22)19-11-3-7-15-23(19)26)24-16-8-4-12-20(24)21-13-5-9-17-25(21)26;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h2-17H,1H3;5-16H2,1-4H3/q-1;+1
InChIKeyYIQYECYHCNVLAX-UHFFFAOYSA-N
MW589.98 g/mol
LogP8.61
Rot. Bonds12

About 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium

8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium (PubChem CID 15909450) has the molecular formula C41H55NSi and a molecular weight of 589.98 g/mol. Its IUPAC name is 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium.

Molecular Properties

Compound Name8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium
PubChem CID15909450
Molecular FormulaC41H55NSi
Molecular Weight589.98 g/mol
Exact Mass589.41
IUPAC Name8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.C[Si-]12(c3ccccc3-c3ccccc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C25H19Si.C16H36N/c1-26(22-14-6-2-10-18(22)19-11-3-7-15-23(19)26)24-16-8-4-12-20(24)21-13-5-9-17-25(21)26;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h2-17H,1H3;5-16H2,1-4H3/q-1;+1
InChIKeyYIQYECYHCNVLAX-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.98
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide
CID 46225950
N,N-dimethyl-2-phenyl-1-triphenylsilylethanamine
CID 12549256
N-[[4-[5-[4-(diethylaminomethyl)phenyl]-1,1-dimethyl-3,4-diphenylsilol-2-yl]phenyl]methyl]-N-ethylethanamine
CID 101955550
triphenyl-[(2S)-1-[(E)-2-phenylethenyl]pyrrolidin-2-yl]silane
CID 139123609
N,N-dibenzyl-1-[dimethyl(phenyl)silyl]-5-phenylpentan-1-amine
CID 164685922
Trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium
CID 46225951
1-N,1-N,1-N',1-N'-tetraethyl-2,5-bis(3-methylphenyl)-3,4-diphenylsilole-1,1-diamine
CID 19596786
3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine
CID 59971535
1-Methylspiro[1,4-azasilinane-4,5'-benzo[b][1]benzosilole]
CID 68188898
3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane
CID 91482457
Ethane;5,5'-spirobi[benzo[b][1]benzosilole]
CID 91561807
N'-[3-[5-[3-[bis[3-(dimethylamino)propyl]amino]propyl]-3,7-dimethylbenzo[b][1]benzosilol-5-yl]propyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 123649877

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium?
The IUPAC name of 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium (CID 15909450) is 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium.
What is the SMILES notation for 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium?
The canonical SMILES for 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.C[Si-]12(c3ccccc3-c3ccccc31)c1ccccc1-c1ccccc12.
What is the InChIKey of 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium?
The InChIKey is YIQYECYHCNVLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Si.C16H36N/c1-26(22-14-6-2-10-18(22)19-11-3-7-15-23(19)26)24-16-8-4-12-20(24)21-13-5-9-17-25(21)26;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h2-17H,1H3;5-16H2,1-4H3/q-1;+1.
What are the key properties of 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium?
8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium has a molecular weight of 589.98 g/mol, XLogP of 8.61, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8,8'-spirobi[8-silanuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene];tetrabutylazanium is sourced from PubChem (CID 15909450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).