methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane

C49H47F5N2OSi — CID 140786013

IUPACmethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane
SMILESCn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1ccccc1n3Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1-2
InChIInChI=1S/C49H47F5N2OSi/c1-49(2,3)57-26-16-6-7-17-27-58(5,47-31-20-10-8-18-29(31)45-38(47)33-22-12-14-24-36(33)55(45)4)48-32-21-11-9-19-30(32)46-39(48)34-23-13-15-25-37(34)56(46)28-35-40(50)42(52)44(54)43(53)41(35)51/h8-15,18-25,47-48H,6-7,16-17,26-28H2,1-5H3
InChIKeyBGTYWAGFVHJERI-UHFFFAOYSA-N
MW803.00 g/mol
LogP13.33
Rot. Bonds11

About methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane

methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane (PubChem CID 140786013) has the molecular formula C49H47F5N2OSi and a molecular weight of 803.00 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-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane.

Molecular Properties

Compound Namemethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane
PubChem CID140786013
Molecular FormulaC49H47F5N2OSi
Molecular Weight803.00 g/mol
Exact Mass802.34
IUPAC Namemethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane
SMILESCn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1ccccc1n3Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1-2
InChIInChI=1S/C49H47F5N2OSi/c1-49(2,3)57-26-16-6-7-17-27-58(5,47-31-20-10-8-18-29(31)45-38(47)33-22-12-14-24-36(33)55(45)4)48-32-21-11-9-19-30(32)46-39(48)34-23-13-15-25-37(34)56(46)28-35-40(50)42(52)44(54)43(53)41(35)51/h8-15,18-25,47-48H,6-7,16-17,26-28H2,1-5H3
InChIKeyBGTYWAGFVHJERI-UHFFFAOYSA-N
XLogP13.33
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.00
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]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-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane?
The IUPAC name of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane (CID 140786013) is methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]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-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane?
The canonical SMILES for methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane is Cn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1ccccc1n3Cc1c(F)c(F)c(F)c(F)c1F)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-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane?
The InChIKey is BGTYWAGFVHJERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47F5N2OSi/c1-49(2,3)57-26-16-6-7-17-27-58(5,47-31-20-10-8-18-29(31)45-38(47)33-22-12-14-24-36(33)55(45)4)48-32-21-11-9-19-30(32)46-39(48)34-23-13-15-25-37(34)56(46)28-35-40(50)42(52)44(54)43(53)41(35)51/h8-15,18-25,47-48H,6-7,16-17,26-28H2,1-5H3.
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-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane?
methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane has a molecular weight of 803.00 g/mol, XLogP of 13.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 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-[(2,3,4,5,6-pentafluorophenyl)methyl]-10H-indeno[1,2-b]indol-10-yl]silane is sourced from PubChem (CID 140786013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).