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

C43H58FNOSi — CID 140876108

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3CCC4C=CC=CC43)N(Cc3ccccc3F)C2C=C1
InChIInChI=1S/C43H58FNOSi/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/h8-13,16-22,24,28,31,33-36,38-42H,6-7,14-15,23,25-27,29H2,1-5H3
InChIKeyGZPYSPHNNVMJNH-UHFFFAOYSA-N
MW652.03 g/mol
LogP10.85
Rot. Bonds11

About 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,5a,9a,9b,10,10a-hexahydro-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,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140876108) has the molecular formula C43H58FNOSi and a molecular weight of 652.03 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,5a,9a,9b,10,10a-hexahydro-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,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140876108
Molecular FormulaC43H58FNOSi
Molecular Weight652.03 g/mol
Exact Mass651.43
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3CCC4C=CC=CC43)N(Cc3ccccc3F)C2C=C1
InChIInChI=1S/C43H58FNOSi/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/h8-13,16-22,24,28,31,33-36,38-42H,6-7,14-15,23,25-27,29H2,1-5H3
InChIKeyGZPYSPHNNVMJNH-UHFFFAOYSA-N
XLogP10.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.03
LogP ≤ 510.85
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,5a,9a,9b,10,10a-hexahydro-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,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140876108) is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,5a,9a,9b,10,10a-hexahydro-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,5a,9a,9b,10,10a-hexahydro-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,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CC1=CC2C3C(C4C=CC=CC4C3[Si](C)(CCCCCCOC(C)(C)C)C3CCC4C=CC=CC43)N(Cc3ccccc3F)C2C=C1.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-[5-[(2-fluorophenyl)methyl]-8-methyl-4b,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is GZPYSPHNNVMJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58FNOSi/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/h8-13,16-22,24,28,31,33-36,38-42H,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,5a,9a,9b,10,10a-hexahydro-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,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 652.03 g/mol, XLogP of 10.85, 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,5a,9a,9b,10,10a-hexahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140876108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).