2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C43H56FNOSi — CID 162287610

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1CCC3C=CC=CC31)N2Cc1ccccc1F
InChIInChI=1S/C43H56FNOSi/c1-30-22-24-38-36(28-30)40-41(45(38)29-32-17-9-13-21-37(32)44)34-19-11-12-20-35(34)42(40)47(5,27-15-7-6-14-26-46-43(2,3)4)39-25-23-31-16-8-10-18-33(31)39/h8-13,16-22,24,28,31,33-35,39-42H,6-7,14-15,23,25-27,29H2,1-5H3
InChIKeyZTEBYKHBEXXDAE-UHFFFAOYSA-N
MW650.01 g/mol
LogP11.33
Rot. Bonds11

About 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 162287610) has the molecular formula C43H56FNOSi and a molecular weight of 650.01 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID162287610
Molecular FormulaC43H56FNOSi
Molecular Weight650.01 g/mol
Exact Mass649.41
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1CCC3C=CC=CC31)N2Cc1ccccc1F
InChIInChI=1S/C43H56FNOSi/c1-30-22-24-38-36(28-30)40-41(45(38)29-32-17-9-13-21-37(32)44)34-19-11-12-20-35(34)42(40)47(5,27-15-7-6-14-26-46-43(2,3)4)39-25-23-31-16-8-10-18-33(31)39/h8-13,16-22,24,28,31,33-35,39-42H,6-7,14-15,23,25-27,29H2,1-5H3
InChIKeyZTEBYKHBEXXDAE-UHFFFAOYSA-N
XLogP11.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.01
LogP ≤ 511.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 162287610) is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1CCC3C=CC=CC31)N2Cc1ccccc1F.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is ZTEBYKHBEXXDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56FNOSi/c1-30-22-24-38-36(28-30)40-41(45(38)29-32-17-9-13-21-37(32)44)34-19-11-12-20-35(34)42(40)47(5,27-15-7-6-14-26-46-43(2,3)4)39-25-23-31-16-8-10-18-33(31)39/h8-13,16-22,24,28,31,33-35,39-42H,6-7,14-15,23,25-27,29H2,1-5H3.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 650.01 g/mol, XLogP of 11.33, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 162287610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).