methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane

C56H73NOSi — CID 140722452

IUPACmethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane
SMILESCn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3cc4c(cc3-c3cc5c(cc31)C(C)(C)CCC5(C)C)C(C)(C)CCC4(C)C)c1ccccc1-2
InChIInChI=1S/C56H73NOSi/c1-52(2,3)58-30-20-14-15-21-31-59(13,51-37-23-17-16-22-36(37)49-48(51)38-24-18-19-25-47(38)57(49)12)50-41-34-45-43(53(4,5)26-28-55(45,8)9)32-39(41)40-33-44-46(35-42(40)50)56(10,11)29-27-54(44,6)7/h16-19,22-25,32-35,50-51H,14-15,20-21,26-31H2,1-13H3
InChIKeyIJXLYSUFCWJRIL-UHFFFAOYSA-N
MW804.29 g/mol
LogP15.33
Rot. Bonds9

About methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane

methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane (PubChem CID 140722452) has the molecular formula C56H73NOSi and a molecular weight of 804.29 g/mol. Its IUPAC name is methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane.

Molecular Properties

Compound Namemethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane
PubChem CID140722452
Molecular FormulaC56H73NOSi
Molecular Weight804.29 g/mol
Exact Mass803.55
IUPAC Namemethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane
SMILESCn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3cc4c(cc3-c3cc5c(cc31)C(C)(C)CCC5(C)C)C(C)(C)CCC4(C)C)c1ccccc1-2
InChIInChI=1S/C56H73NOSi/c1-52(2,3)58-30-20-14-15-21-31-59(13,51-37-23-17-16-22-36(37)49-48(51)38-24-18-19-25-47(38)57(49)12)50-41-34-45-43(53(4,5)26-28-55(45,8)9)32-39(41)40-33-44-46(35-42(40)50)56(10,11)29-27-54(44,6)7/h16-19,22-25,32-35,50-51H,14-15,20-21,26-31H2,1-13H3
InChIKeyIJXLYSUFCWJRIL-UHFFFAOYSA-N
XLogP15.33
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.29
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane?
The IUPAC name of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane (CID 140722452) is methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane.
What is the SMILES notation for methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane?
The canonical SMILES for methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane is Cn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3cc4c(cc3-c3cc5c(cc31)C(C)(C)CCC5(C)C)C(C)(C)CCC4(C)C)c1ccccc1-2.
What is the InChIKey of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane?
The InChIKey is IJXLYSUFCWJRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H73NOSi/c1-52(2,3)58-30-20-14-15-21-31-59(13,51-37-23-17-16-22-36(37)49-48(51)38-24-18-19-25-47(38)57(49)12)50-41-34-45-43(53(4,5)26-28-55(45,8)9)32-39(41)40-33-44-46(35-42(40)50)56(10,11)29-27-54(44,6)7/h16-19,22-25,32-35,50-51H,14-15,20-21,26-31H2,1-13H3.
What are the key properties of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane?
methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane has a molecular weight of 804.29 g/mol, XLogP of 15.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane is sourced from PubChem (CID 140722452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).