4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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

C47H58FNOSi — CID 162287611

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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)C1C3C=CC=CC3C3C=CC=CC31)N2Cc1ccccc1F
InChIInChI=1S/C47H58FNOSi/c1-32-26-27-42-40(30-32)43-44(49(42)31-33-18-8-15-25-41(33)48)36-21-11-14-24-39(36)46(43)51(5,29-17-7-6-16-28-50-47(2,3)4)45-37-22-12-9-19-34(37)35-20-10-13-23-38(35)45/h8-15,18-27,30,34-39,43-46H,6-7,16-17,28-29,31H2,1-5H3
InChIKeyBPDRXNFOCYVCCE-UHFFFAOYSA-N
MW700.07 g/mol
LogP11.90
Rot. Bonds11

About 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 162287611) has the molecular formula C47H58FNOSi and a molecular weight of 700.07 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 CID162287611
Molecular FormulaC47H58FNOSi
Molecular Weight700.07 g/mol
Exact Mass699.43
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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)C1C3C=CC=CC3C3C=CC=CC31)N2Cc1ccccc1F
InChIInChI=1S/C47H58FNOSi/c1-32-26-27-42-40(30-32)43-44(49(42)31-33-18-8-15-25-41(33)48)36-21-11-14-24-39(36)46(43)51(5,29-17-7-6-16-28-50-47(2,3)4)45-37-22-12-9-19-34(37)35-20-10-13-23-38(35)45/h8-15,18-27,30,34-39,43-46H,6-7,16-17,28-29,31H2,1-5H3
InChIKeyBPDRXNFOCYVCCE-UHFFFAOYSA-N
XLogP11.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.07
LogP ≤ 511.90
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'}

Analyze 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 162287611) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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)C1C3C=CC=CC3C3C=CC=CC31)N2Cc1ccccc1F.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 BPDRXNFOCYVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H58FNOSi/c1-32-26-27-42-40(30-32)43-44(49(42)31-33-18-8-15-25-41(33)48)36-21-11-14-24-39(36)46(43)51(5,29-17-7-6-16-28-50-47(2,3)4)45-37-22-12-9-19-34(37)35-20-10-13-23-38(35)45/h8-15,18-27,30,34-39,43-46H,6-7,16-17,28-29,31H2,1-5H3.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 700.07 g/mol, XLogP of 11.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-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 162287611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).