methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane

C49H46F4N2OSi — CID 147906839

IUPACmethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane
SMILESCn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1cccc4c1n3Cc1c(F)c(F)c(F)c(F)c1-4)c1ccccc1-2
InChIInChI=1S/C49H46F4N2OSi/c1-49(2,3)56-25-14-6-7-15-26-57(5,47-30-19-10-8-17-28(30)45-38(47)32-21-12-13-24-36(32)54(45)4)48-31-20-11-9-18-29(31)46-39(48)34-23-16-22-33-37-35(27-55(46)44(33)34)40(50)42(52)43(53)41(37)51/h8-13,16-24,47-48H,6-7,14-15,25-27H2,1-5H3
InChIKeyIFIXUELQNFYYHQ-UHFFFAOYSA-N
MW783.00 g/mol
LogP13.18
Rot. Bonds9

About methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane

methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane (PubChem CID 147906839) has the molecular formula C49H46F4N2OSi and a molecular weight of 783.00 g/mol. Its IUPAC name is methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane.

Molecular Properties

Compound Namemethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane
PubChem CID147906839
Molecular FormulaC49H46F4N2OSi
Molecular Weight783.00 g/mol
Exact Mass782.33
IUPAC Namemethyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane
SMILESCn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1cccc4c1n3Cc1c(F)c(F)c(F)c(F)c1-4)c1ccccc1-2
InChIInChI=1S/C49H46F4N2OSi/c1-49(2,3)56-25-14-6-7-15-26-57(5,47-30-19-10-8-17-28(30)45-38(47)32-21-12-13-24-36(32)54(45)4)48-31-20-11-9-18-29(31)46-39(48)34-23-16-22-33-37-35(27-55(46)44(33)34)40(50)42(52)43(53)41(37)51/h8-13,16-24,47-48H,6-7,14-15,25-27H2,1-5H3
InChIKeyIFIXUELQNFYYHQ-UHFFFAOYSA-N
XLogP13.18
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.00
LogP ≤ 513.18
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]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane with MolForge

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

Launch Full Analysis

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]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane?
The IUPAC name of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane (CID 147906839) is methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-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]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane?
The canonical SMILES for methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane is Cn1c2c(c3ccccc31)C([Si](C)(CCCCCCOC(C)(C)C)C1c3ccccc3-c3c1c1cccc4c1n3Cc1c(F)c(F)c(F)c(F)c1-4)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]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane?
The InChIKey is IFIXUELQNFYYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H46F4N2OSi/c1-49(2,3)56-25-14-6-7-15-26-57(5,47-30-19-10-8-17-28(30)45-38(47)32-21-12-13-24-36(32)54(45)4)48-31-20-11-9-18-29(31)46-39(48)34-23-16-22-33-37-35(27-55(46)44(33)34)40(50)42(52)43(53)41(37)51/h8-13,16-24,47-48H,6-7,14-15,25-27H2,1-5H3.
What are the key properties of methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane?
methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane has a molecular weight of 783.00 g/mol, XLogP of 13.18, 9 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]-(4,5,6,7-tetrafluoro-1-azahexacyclo[11.9.1.03,8.09,23.014,22.016,21]tricosa-3(8),4,6,9,11,13(23),14(22),16,18,20-decaen-15-yl)silane is sourced from PubChem (CID 147906839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).