dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane

C29H32NSi+ — CID 161388982

IUPACdimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane
SMILESCc1cccc2c1-c1c3c(cc([Si](C)(C)c4ccccc4)cc3cc(C)[n+]1C)C2(C)C
InChIInChI=1S/C29H32NSi/c1-19-12-11-15-24-26(19)28-27-21(16-20(2)30(28)5)17-23(18-25(27)29(24,3)4)31(6,7)22-13-9-8-10-14-22/h8-18H,1-7H3/q+1
InChIKeyKSXQGSICOIAVBT-UHFFFAOYSA-N
MW422.67 g/mol
LogP5.41
Rot. Bonds2

About dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane

dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane (PubChem CID 161388982) has the molecular formula C29H32NSi+ and a molecular weight of 422.67 g/mol. Its IUPAC name is dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane.

Molecular Properties

Compound Namedimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane
PubChem CID161388982
Molecular FormulaC29H32NSi+
Molecular Weight422.67 g/mol
Exact Mass422.23
IUPAC Namedimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane
SMILESCc1cccc2c1-c1c3c(cc([Si](C)(C)c4ccccc4)cc3cc(C)[n+]1C)C2(C)C
InChIInChI=1S/C29H32NSi/c1-19-12-11-15-24-26(19)28-27-21(16-20(2)30(28)5)17-23(18-25(27)29(24,3)4)31(6,7)22-13-9-8-10-14-22/h8-18H,1-7H3/q+1
InChIKeyKSXQGSICOIAVBT-UHFFFAOYSA-N
XLogP5.41
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.67
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane with MolForge

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Related Compounds

4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 157059803
ethane;4,9,9-trimethylfluorene
CID 123917181
(3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane
CID 166053769
2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene
CID 160832487
5,5,9-trimethylindeno[1,2-b]pyridine
CID 58050073
2-fluoro-5,9,9-trimethylfluorene
CID 126538436
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
3-(9,9-dimethylfluoren-2-yl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991398
2,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene
CID 142540848
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane?
The IUPAC name of dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane (CID 161388982) is dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane.
What is the SMILES notation for dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane?
The canonical SMILES for dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane is Cc1cccc2c1-c1c3c(cc([Si](C)(C)c4ccccc4)cc3cc(C)[n+]1C)C2(C)C.
What is the InChIKey of dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane?
The InChIKey is KSXQGSICOIAVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32NSi/c1-19-12-11-15-24-26(19)28-27-21(16-20(2)30(28)5)17-23(18-25(27)29(24,3)4)31(6,7)22-13-9-8-10-14-22/h8-18H,1-7H3/q+1.
What are the key properties of dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane?
dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane has a molecular weight of 422.67 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-11-yl)-phenylsilane is sourced from PubChem (CID 161388982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).