[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C43H48FNOSi — CID 140785990

IUPAC[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2Cc2ccccc2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1C=Cc2ccccc21
InChIInChI=1S/C43H48FNOSi/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/h8-13,16-25,28,39,42H,6-7,14-15,26-27,29H2,1-5H3
InChIKeyCIZBGYYYHYPRHF-UHFFFAOYSA-N
MW641.95 g/mol
LogP11.59
Rot. Bonds11

About [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140785990) has the molecular formula C43H48FNOSi and a molecular weight of 641.95 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Name[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140785990
Molecular FormulaC43H48FNOSi
Molecular Weight641.95 g/mol
Exact Mass641.35
IUPAC Name[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCc1ccc2c(c1)c1c(n2Cc2ccccc2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1C=Cc2ccccc21
InChIInChI=1S/C43H48FNOSi/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/h8-13,16-25,28,39,42H,6-7,14-15,26-27,29H2,1-5H3
InChIKeyCIZBGYYYHYPRHF-UHFFFAOYSA-N
XLogP11.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.95
LogP ≤ 511.59
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 [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140785990) is [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is Cc1ccc2c(c1)c1c(n2Cc2ccccc2F)-c2ccccc2C1[Si](C)(CCCCCCOC(C)(C)C)C1C=Cc2ccccc21.
What is the InChIKey of [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is CIZBGYYYHYPRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48FNOSi/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/h8-13,16-25,28,39,42H,6-7,14-15,26-27,29H2,1-5H3.
What are the key properties of [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
[5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 641.95 g/mol, XLogP of 11.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenyl)methyl]-8-methyl-10H-indeno[1,2-b]indol-10-yl]-(1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140785990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).